Geometry & MOs

Info

ID:	260581
PubChem CID:	103196138
Reduced:	BrFN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	3.45
IP(EA), eV:	-9.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C(=O)C3=CC(=C(C=C3)Br)F

DOS

IR

Vibrations