Geometry & MOs

Info

ID:	169613
PubChem CID:	75126041
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	0.86
Dipole, Da:	7.88
IP(EA), eV:	-9.67(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations