Geometry & MOs

Info

ID:	393451
PubChem CID:	135020623
Reduced:	BrO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	4.78
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,9,10-hexahydrocyclopenta[i][1]benzoxepin-8-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCC(=O)C2=CC=CC=C2OC)Br

DOS

IR

Vibrations