Geometry & MOs

Info

ID:	313173
PubChem CID:	126612367
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	343.168462
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	4.14
IP(EA), eV:	-11.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(4-phenyl-1,7a-dihydroindazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CCCCC2(C1C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations