Geometry & MOs

Info

ID:	315637
PubChem CID:	126628292
Reduced:	BrSH2O2C6 (2)
Stoich.:	ABC2D2E6 (2)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	0.02
IP(EA), eV:	-8.55(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-8,9-didehydro-4,7-dihydro-3H-cyclohepta[b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=C(SC2=C(C3=C(C(=C21)OC=O)SC(=C3)Br)OC=O)Br

DOS

IR

Vibrations