Geometry & MOs

Info

ID:	143357
PubChem CID:	53196710
Reduced:	OF2N8H20C22 (1)
Stoich.:	AB2C8D20E22 (1)
Weight, g/mol:	390.124739
ΔH_f, kcal/mol:	10.53
Dipole, Da:	8.16
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C3=NC=NC4=C3C=NN4CC(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations