Geometry & MOs

Info

ID:	169614
PubChem CID:	75126042
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	315.102606
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	3.93
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations