Geometry & MOs

Info

ID:	260572
PubChem CID:	103195719
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	3.47
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluoro-3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CN(C2=O)CC(=O)NC3=CC=CC=C3F)NC1

DOS

IR

Vibrations