Geometry & MOs

Info

ID:	410539
PubChem CID:	135083338
Reduced:	AlO2H31C37 (1)
Stoich.:	AB2C31D37 (1)
Weight, g/mol:	534.213944
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	2.09
IP(EA), eV:	-8.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,16-bis(2,6-dimethylphenyl)-13-methyl-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=CC(=C1)C2=CC3=CC=CC=C3C4=C2O[Al](OC5=C4C6=CC=CC=C6C=C5C7=CC(=CC(=C7)C)C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=CC(=C1)C2=CC3=CC=CC=C3C4=C2O[Al](OC5=C4C6=CC=CC=C6C=C5C7=CC(=CC(=C7)C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):