Geometry & MOs

Info

ID:	449451
PubChem CID:	135298715
Reduced:	FN6H25C29 (1)
Stoich.:	AB6C25D29 (1)
Weight, g/mol:	538.191738
ΔH_f, kcal/mol:	134.28
Dipole, Da:	4.25
IP(EA), eV:	-8.48(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)C)F

DOS

IR

Vibrations