Geometry & MOs

Info

ID:	143401
PubChem CID:	53203526
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	355.119988
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	4.24
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=CC=C(C=C2)OC(F)(F)F)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations