Geometry & MOs

Info

ID:	248149
PubChem CID:	103079282
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	4.77
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCC2CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations