Geometry & MOs

Info

ID:	260588
PubChem CID:	103196311
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-116.12
Dipole, Da:	1.35
IP(EA), eV:	-8.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)F)N2CCCC(C2)C(=O)NC

DOS

IR

Vibrations