Geometry & MOs

Info

ID:	260805
PubChem CID:	103205041
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	247.060643
ΔH_f, kcal/mol:	45.75
Dipole, Da:	1.37
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,4-benzotriazin-3-yl)imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CNCC1COCCN1C2=NC3=CC=CC=C3N=N2

DOS

IR

Vibrations