Geometry & MOs

Info

ID:	309820
PubChem CID:	126560714
Reduced:	ON5H21C27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	311.117095
ΔH_f, kcal/mol:	263.31
Dipole, Da:	9.0
IP(EA), eV:	-8.45(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(5-pyridin-3-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC#C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=CN=CC5=N4)C6=COC=C6

DOS

IR

Vibrations