Geometry & MOs

Info

ID:	323652
PubChem CID:	126675658
Reduced:	ON7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	300.06387
ΔH_f, kcal/mol:	138.31
Dipole, Da:	6.58
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chlorobenzotriazol-1-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1CC1OC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations