Geometry & MOs

Info

ID:	437718
PubChem CID:	135226883
Reduced:	FOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	438.121355
ΔH_f, kcal/mol:	-69.94
Dipole, Da:	1.44
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclobutylsulfanyl-2-(2,4-difluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)C(=C)C1=CC(=C(C=C1)O)F

DOS

IR

Vibrations