Geometry & MOs

Info

ID:	59989
PubChem CID:	26527442
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	5.07
IP(EA), eV:	-8.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations