Geometry & MOs

Info

ID:	224595
PubChem CID:	85345163
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	-209.72
Dipole, Da:	2.34
IP(EA), eV:	-9.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diphenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(C(C1=O)C)C(=O)OCC=C

DOS

IR

Vibrations