Geometry & MOs

Info

ID:	248251
PubChem CID:	103080028
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-12.57
Dipole, Da:	6.04
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4-nitropyrazol-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCOC2)[N+](=O)[O-]

DOS

IR

Vibrations