Geometry & MOs

Info

ID:	444130
PubChem CID:	135261427
Reduced:	FO2N6H17C25 (1)
Stoich.:	AB2C6D17E25 (1)
Weight, g/mol:	405.133808
ΔH_f, kcal/mol:	82.82
Dipole, Da:	3.96
IP(EA), eV:	-8.74(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-(4-pyridin-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32)F

DOS

IR

Vibrations