Geometry & MOs

Info

ID:	265799
PubChem CID:	103547450
Reduced:	FO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-172.79
Dipole, Da:	2.63
IP(EA), eV:	-9.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1,3-dioxolan-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(CC2OCCO2)O

DOS

IR

Vibrations