Geometry & MOs

Info

ID:	449264
PubChem CID:	135297239
Reduced:	FON6H27C31 (1)
Stoich.:	ABC6D27E31 (1)
Weight, g/mol:	420.149873
ΔH_f, kcal/mol:	97.24
Dipole, Da:	8.29
IP(EA), eV:	-8.73(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OC7CCCCC7)/C=C23

DOS

IR

Vibrations