Geometry & MOs

Info

ID:	151036
PubChem CID:	53790733
Reduced:	NO2C31H47 (1)
Stoich.:	AB2C31D47 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-86.99
Dipole, Da:	2.08
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2-methylbutanoyl) 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCC=CCCCOC1=CN=C(C=C1)C2=CC=C(C=C2)CCCCCOCCC

DOS

IR

Vibrations