Geometry & MOs

Info

ID:	169864
PubChem CID:	75159490
Reduced:	ClO2F3N4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	464.183539
ΔH_f, kcal/mol:	-187.27
Dipole, Da:	1.28
IP(EA), eV:	-9.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-fluorophenyl)acetyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2C1NNC2C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations