Geometry & MOs

Info

ID:	295759
PubChem CID:	117543712
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	2.78
IP(EA), eV:	-8.18(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methyloxiran-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine

Drug info:

PubChemData

Smile

CC1C(O1)C2=C(C=C(C(=C2)OC)C)OC

DOS

IR

Vibrations