Geometry & MOs

Info

ID:	437764
PubChem CID:	135226993
Reduced:	SF2N3O3H23C24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	381.128883
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	9.01
IP(EA), eV:	-8.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=NCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C)(=O)C

DOS

IR

Vibrations