Geometry & MOs

Info

ID:	308845
PubChem CID:	126522890
Reduced:	NC4H4 (8)
Stoich.:	AB4C4 (8)
Weight, g/mol:	312.112344
ΔH_f, kcal/mol:	205.14
Dipole, Da:	6.22
IP(EA), eV:	-8.26(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-pyrazin-2-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/C=C23

DOS

IR

Vibrations