Geometry & MOs

Info

ID:	244020
PubChem CID:	99309364
Reduced:	F2O3N4C26H28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-155.49
Dipole, Da:	4.25
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=C2)F)F)C)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations