Geometry & MOs

Info

ID:	324540
PubChem CID:	126677863
Reduced:	N6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	106.91
Dipole, Da:	5.06
IP(EA), eV:	-8.23(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CC3=C(C=CC=C32)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations