Geometry & MOs

Info

ID:	27477
PubChem CID:	821552
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	306.021435
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	2.96
IP(EA), eV:	-8.92(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl) 3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=O)[C@@H]3CC(=C(C[C@@H]3C2=O)C)C

DOS

IR

Vibrations