Geometry & MOs

Info

ID:	248301
PubChem CID:	103080406
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	7.83
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCC(CC2)CO)[N+](=O)[O-]

DOS

IR

Vibrations