Geometry & MOs

Info

ID:	293639
PubChem CID:	117394916
Reduced:	ClO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-132.63
Dipole, Da:	7.32
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C2(CC2)C(=O)O)Cl

DOS

IR

Vibrations