Geometry & MOs

Info

ID:	260579
PubChem CID:	103196115
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	340.02227
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	5.46
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCCC3C2CNC3=O)Br

DOS

IR

Vibrations