Geometry & MOs

Info

ID:	257342
PubChem CID:	103145378
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	9.55
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(2,5-dimethyl-4-nitroanilino)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=C(C=C(C(=C1)C)[N+](=O)[O-])C)N

DOS

IR

Vibrations