Geometry & MOs

Info

ID:	248165
PubChem CID:	103079351
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	9.9
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)O)CCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations