Geometry & MOs

Info

ID:	248148
PubChem CID:	103079281
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	3.83
IP(EA), eV:	-9.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C(=O)O)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations