Geometry & MOs

Info

ID:	293647
PubChem CID:	117395103
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	4.06
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Cl)C(C)CC=O)OC

DOS

IR

Vibrations