Geometry & MOs

Info

ID:	248300
PubChem CID:	103080403
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	8.76
Dipole, Da:	6.58
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-methyl-4-nitropyrazol-3-yl)piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N(CCO)C2CC2)[N+](=O)[O-]

DOS

IR

Vibrations