Geometry & MOs

Info

ID:	216964
PubChem CID:	85087041
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	327.150225
ΔH_f, kcal/mol:	24.97
Dipole, Da:	5.33
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N,5-diphenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

Drug info:

PubChemData

Smile

C1CC2CCN3C2C(C1)(N=N3)C4=CC5=C(C=C4CCl)OCO5

DOS

IR

Vibrations