Geometry & MOs

Info

ID:	438868
PubChem CID:	135228626
Reduced:	NO4C29H33 (1)
Stoich.:	AB4C29D33 (1)
Weight, g/mol:	413.30825
ΔH_f, kcal/mol:	-133.55
Dipole, Da:	10.64
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3E)-3-ethylidene-2,4-dimethylidene-6-[5-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-(2,3,3-trimethylbutyl)phenyl]hept-5-enenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)OCC)C(C)(C)C)OC

DOS

IR

Vibrations