Geometry & MOs

Info

ID:	410538
PubChem CID:	135083337
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	534.213944
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	1.77
IP(EA), eV:	-9.36(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,16-bis(3,5-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

Smile

CC1(OCC[C@@H](O1)CC2=CC=CC=C2)C

DOS

IR

Vibrations