Geometry & MOs

Info

ID:	444211
PubChem CID:	135261727
Reduced:	FON9H30C31 (1)
Stoich.:	ABC9D30E31 (1)
Weight, g/mol:	435.149538
ΔH_f, kcal/mol:	106.91
Dipole, Da:	4.91
IP(EA), eV:	-8.66(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)indol-2-ylidene]-5-pyridin-3-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)NCCN(C)C)/NN3

DOS

IR

Vibrations