Geometry & MOs

Info

ID:	222445
PubChem CID:	85300750
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	329.037419
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	2.27
IP(EA), eV:	-8.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-2-methyloxiran-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(OC1=O)C(C2=CC=C(C=C2)Cl)NC3=CC=CC=C3O

DOS

IR

Vibrations