Geometry & MOs

Info

ID:	167515
PubChem CID:	74841314
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	441.189986
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	8.1
IP(EA), eV:	-9.59(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[3-(4-nitrophenyl)prop-2-enoylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N1CCC2=CC=CC=C2C1)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations