Geometry & MOs

Info

ID:	217760
PubChem CID:	85088342
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	3.03
IP(EA), eV:	-9.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,8-dimethyl-11-(5-oxo-2H-furan-3-yl)undeca-4,8,10-trienylidene]-5-(2-methylprop-1-enyl)oxolan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1COC(OC1CCC2=CC(=CC=C2)N=NC3=CC=CC=C3)(C)C

DOS

IR

Vibrations