Geometry & MOs

Info

ID:	252132
PubChem CID:	103109348
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	5.67
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CN2CCNCC2

DOS

IR

Vibrations