Geometry & MOs

Info

ID:	292780
PubChem CID:	117358607
Reduced:	ClFO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	2.93
IP(EA), eV:	-9.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C=C2)F)Cl)C(=O)O

DOS

IR

Vibrations