Geometry & MOs

Info

ID:	248170
PubChem CID:	103079429
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	8.89
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(1-methyl-4-nitropyrazol-3-yl)anilino)propanenitrile

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CC3CCCC3C2C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations