Geometry & MOs

Info

ID:	180478
PubChem CID:	76639434
Reduced:	FO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	899.49321
ΔH_f, kcal/mol:	-225.92
Dipole, Da:	3.76
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-(2-ethylhexanoyloxymethoxy)-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-6-[4-(2-ethylhexanoyloxy)-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-1,3,5-triazinan-2-ylidene]-2-methyl-3-oxocyclohexa-1,5-dien-1-yl]oxyethyl 2-ethylhexanoate

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

CCC(C(C#CC=CC=CC=CC(C(CCCC(=O)O)O)O)O)F

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

CCC(C(C#CC=CC=CC=CC(C(CCCC(=O)O)O)O)O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):