Geometry & MOs

Info

ID:	210770
PubChem CID:	80853578
Reduced:	N6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	240.112344
ΔH_f, kcal/mol:	111.63
Dipole, Da:	1.96
IP(EA), eV:	-9.2(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzotriazol-1-yl)-N,5-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1N2C3=CC=CC=C3N=N2)N

DOS

IR

Vibrations