Geometry & MOs

Info

ID:	205044
PubChem CID:	80048079
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	263.117095
ΔH_f, kcal/mol:	16.06
Dipole, Da:	5.93
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=NN12)NCCC(=O)N

DOS

IR

Vibrations