Geometry & MOs

Info

ID:	195344
PubChem CID:	78675870
Reduced:	NO3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	373.082934
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	1.72
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations