Geometry & MOs

Info

ID:	248161
PubChem CID:	103079344
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	242.101505
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	7.57
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CC1)(C(=O)O)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations