Geometry & MOs

Info

ID:	323900
PubChem CID:	126676489
Reduced:	N5H15C16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	289.084271
ΔH_f, kcal/mol:	194.37
Dipole, Da:	3.4
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorobenzotriazol-2-yl)methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1=CC=CC=C(C=CC=C1)CC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations