Geometry & MOs

Info

ID:	260598
PubChem CID:	103196792
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	5.67
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1N2CCCC3C2CNC3=O)O

DOS

IR

Vibrations