Geometry & MOs

Info

ID:	210771
PubChem CID:	80853579
Reduced:	NC2H2 (6)
Stoich.:	AB2C2 (6)
Weight, g/mol:	226.096694
ΔH_f, kcal/mol:	122.53
Dipole, Da:	1.92
IP(EA), eV:	-9.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzotriazol-1-yl)-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2C3=CC=CC=C3N=N2)NC

DOS

IR

Vibrations