Geometry & MOs

Info

ID:	449454
PubChem CID:	135298748
Reduced:	FON6H27C30 (1)
Stoich.:	ABC6D27E30 (1)
Weight, g/mol:	435.149538
ΔH_f, kcal/mol:	102.34
Dipole, Da:	3.96
IP(EA), eV:	-8.43(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)OCCN(C)C)NN4)/C=C32

DOS

IR

Vibrations