Geometry & MOs

Info

ID:	444125
PubChem CID:	135261420
Reduced:	FSN6H13C22 (1)
Stoich.:	ABC6D13E22 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	174.04
Dipole, Da:	3.38
IP(EA), eV:	-8.65(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations