Geometry & MOs

Info

ID:	169867
PubChem CID:	75159493
Reduced:	F3O3N4C24H27 (1)
Stoich.:	A3B3C4D24E27 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	-223.63
Dipole, Da:	2.58
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-methylphenyl)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

COC1=CC=C(C=C1)CC(=O)N2CCC3C(C2)C(NN3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations