Geometry & MOs

Info

ID:	166130
PubChem CID:	74641502
Reduced:	N3O4H21C27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	11.93
Dipole, Da:	3.3
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations