Geometry & MOs

Info

ID:	210769
PubChem CID:	80853577
Reduced:	N6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	254.127994
ΔH_f, kcal/mol:	113.5
Dipole, Da:	4.68
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)N2C3=CC=CC=C3N=N2)C

DOS

IR

Vibrations