Geometry & MOs

Info

ID:	323857
PubChem CID:	126676361
Reduced:	NC2H2 (6)
Stoich.:	AB2C2 (6)
Weight, g/mol:	242.127994
ΔH_f, kcal/mol:	104.71
Dipole, Da:	4.37
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dihydrobenzotriazol-1-ylmethyl)pyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=CC(=NC(=C3)N)N

DOS

IR

Vibrations