Geometry & MOs

Info

ID:	449256
PubChem CID:	135297201
Reduced:	FNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	420.149873
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	2.87
IP(EA), eV:	-8.93(0.17)
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-3-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)COCN(C)C)F

DOS

IR

Vibrations