Geometry & MOs

Info

ID:	248162
PubChem CID:	103079345
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	6.43
IP(EA), eV:	-9.21(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations