Geometry & MOs

Info

ID:	144457
PubChem CID:	53371700
Reduced:	FSO2N3C35H40 (1)
Stoich.:	ABC2D3E35F40 (1)
Weight, g/mol:	378.162267
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	3.01
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)N[C@@H](CC3=CC4=CC=CC=C4S3)C(=O)NC5CC(NC(C5)(C)C)(C)C

DOS

IR

Vibrations