Geometry & MOs

Info

ID:	224014
PubChem CID:	85337027
Reduced:	O4C29H48 (1)
Stoich.:	A4B29C48 (1)
Weight, g/mol:	461.292994
ΔH_f, kcal/mol:	-223.12
Dipole, Da:	4.69
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(CCOCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O

DOS

IR

Vibrations