Geometry & MOs

Info

ID:	260600
PubChem CID:	103196823
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	5.52
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C)O)N2CCCC3C2CNC3=O

DOS

IR

Vibrations