Geometry & MOs

Info

ID:	42919
PubChem CID:	10317143
Reduced:	NOC26H29 (1)
Stoich.:	ABC26D29 (1)
Weight, g/mol:	371.057388
ΔH_f, kcal/mol:	54.66
Dipole, Da:	4.64
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-5-oxo-2-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)[N@@+]1(CC(C[C@H]1CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

DOS

IR

Vibrations