Geometry & MOs

Info

ID:	188482
PubChem CID:	77723563
Reduced:	OF2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	4.63
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-naphthalen-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(CC(C2C1C(NN2)C3=CC(=CC=C3)F)F)CC(=O)N

DOS

IR

Vibrations