Geometry & MOs

Info

ID:	448211
PubChem CID:	135289277
Reduced:	ON7H17C23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	388.143645
ΔH_f, kcal/mol:	163.59
Dipole, Da:	6.99
IP(EA), eV:	-8.67(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-pyridin-3-yl-2-(5-pyridin-3-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)O)NN4)/C=C32

DOS

IR

Vibrations