Geometry & MOs

Info

ID:	295915
PubChem CID:	117547181
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-70.14
Dipole, Da:	3.6
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxetan-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(COC2)CCCl)OC

DOS

IR

Vibrations