Geometry & MOs

Info

ID:	143358
PubChem CID:	53196991
Reduced:	ClON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	398.074595
ΔH_f, kcal/mol:	62.91
Dipole, Da:	3.41
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=NN=C(N3C=C2)C4=CC=CC=C4Cl

DOS

IR

Vibrations