Geometry & MOs

Info

ID:	320243
PubChem CID:	126658950
Reduced:	FO2N6C31H37 (1)
Stoich.:	AB2C6D31E37 (1)
Weight, g/mol:	325.133888
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	3.59
IP(EA), eV:	-8.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol

Drug info:

PubChemData

Smile

CC(C)CC(C)C(=O)N1C(=O)C=CN=C1N(C)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F

DOS

IR

Vibrations