Geometry & MOs

Info

ID:	248156
PubChem CID:	103079319
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	5.1
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4-nitropyrazol-3-yl)-3-propylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1(CCCN(C1)C2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations