Geometry & MOs

Info

ID:	248302
PubChem CID:	103080409
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	4.03
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(1-methyl-4-nitropyrazol-3-yl)azetidin-3-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCC2CO)[N+](=O)[O-]

DOS

IR

Vibrations