Geometry & MOs

Info

ID:	248157
PubChem CID:	103079321
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	8.37
IP(EA), eV:	-9.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations