Geometry & MOs

Info

ID:	343337
PubChem CID:	127266510
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	287.117095
ΔH_f, kcal/mol:	46.33
Dipole, Da:	1.14
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CC=CC(=O)NCC1=CC(=CC=C1)CN2C=NC3=CC=CC=C32

DOS

IR

Vibrations