Geometry & MOs

Info

ID:	143362
PubChem CID:	53196995
Reduced:	OF2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	398.074595
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	4.39
IP(EA), eV:	-9.52(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=NN=C(N2C=C1)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations