Geometry & MOs

Info

ID:	169863
PubChem CID:	75159235
Reduced:	Cl2O2N5C22H31 (1)
Stoich.:	A2B2C5D22E31 (1)
Weight, g/mol:	480.153988
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	3.7
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-chlorophenyl)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

CC(C)N1CCN(CC1)C(=O)C2C3CN(CCC3NN2)C(=O)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations