Geometry & MOs

Info

ID:	248163
PubChem CID:	103079347
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	5.01
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCCC2C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations