Geometry & MOs

Info

ID:	294368
PubChem CID:	117454588
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-77.85
Dipole, Da:	3.26
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)CC2(CC2)O)OCC3CC3

DOS

IR

Vibrations