Geometry & MOs

Info

ID:	143363
PubChem CID:	53196996
Reduced:	ClOF2N4H13C20 (1)
Stoich.:	ABC2D4E13F20 (1)
Weight, g/mol:	370.160518
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	5.24
IP(EA), eV:	-9.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC3=NN=C(N3C=C2)C4=CC(=CC(=C4)F)F)Cl

DOS

IR

Vibrations