Geometry & MOs

Info

ID:	435590
PubChem CID:	135191873
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	402.196173
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	3.99
IP(EA), eV:	-9.11(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,7E)-9-[3-chloro-5-(cyclopentylidenemethyl)-2,6-dihydroxy-4-methylphenyl]-3,7-dimethylnona-3,7-dien-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=NC)/C=C(\C(C)C)/C(=O)N

DOS

IR

Vibrations