Geometry & MOs

Info

ID:	294194
PubChem CID:	117434405
Reduced:	ClFO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	272.06155
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	5.75
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(CC(=O)O)C2CC2)F

DOS

IR

Vibrations