Geometry & MOs

Info

ID:	208122
PubChem CID:	80497260
Reduced:	ON6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	186.065394
ΔH_f, kcal/mol:	88.24
Dipole, Da:	3.7
IP(EA), eV:	-8.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(1,2-dihydrotriazol-5-ylidene)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=NNN=C2)C3=CC(=CC=C3)OC)N

DOS

IR

Vibrations