Geometry & MOs

Info

ID:	216774
PubChem CID:	85086753
Reduced:	N2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	121.72
Dipole, Da:	2.03
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trienoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCC2(C=NC=N2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations