Geometry & MOs

Info

ID:	292790
PubChem CID:	117358850
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	3.64
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1C(C)CO)OCCO2)Cl

DOS

IR

Vibrations