Geometry & MOs

Info

ID:	143402
PubChem CID:	53203647
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	54.12
Dipole, Da:	6.82
IP(EA), eV:	-9.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=NN=C4N3C=C(C=C4)Cl

DOS

IR

Vibrations