Geometry & MOs

Info

ID:	252906
PubChem CID:	103114876
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	8.2
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[(2-methyl-3-nitrophenyl)methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCCN2CCNC2=O

DOS

IR

Vibrations