Geometry & MOs

Info

ID:	169865
PubChem CID:	75159491
Reduced:	O2F4N4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	476.203525
ΔH_f, kcal/mol:	-224.25
Dipole, Da:	2.96
IP(EA), eV:	-9.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-methoxyphenyl)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=C4F

DOS

IR

Vibrations