Geometry & MOs

Info

ID:	150871
PubChem CID:	53790568
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	3.77
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(ON=C1CCC2=CC=C(C=C2)C)C

DOS

IR

Vibrations