Geometry & MOs

Info

ID:	162494
PubChem CID:	57394858
Reduced:	OF2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	404.121545
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	3.99
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=C(C=C(C=C2)F)F)C(=O)C3=NN4C=CC=CC4=C3

DOS

IR

Vibrations