Geometry & MOs

Info

ID:	449740
PubChem CID:	135301069
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	458.237643
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	6.33
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chlorophenyl)-8,8-dimethyl-3,6-dimethylidene-1-phenylnonyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)/C=C/C(=C(/C(=C)OC)\OCCN(C)C)/C

DOS

IR

Vibrations