Geometry & MOs

Info

ID:	208123
PubChem CID:	80497550
Reduced:	H3N3C4 (2)
Stoich.:	A3B3C4 (2)
Weight, g/mol:	263.047696
ΔH_f, kcal/mol:	169.28
Dipole, Da:	5.3
IP(EA), eV:	-8.8(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1,2-dihydrotriazol-5-ylidene)-5-methylsulfonylbenzimidazole

Drug info:

PubChemData

Smile

C1=CC2=N/C(=C\3/C=NNN3)/N=C2N=C1

DOS

IR

Vibrations