Geometry & MOs

Info

ID:	203496
PubChem CID:	79838319
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	2.13
IP(EA), eV:	-8.37(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3,4,8,9-tetrahydro-2H-cyclopenta[h][1,5]benzodioxepin-9-ol

Drug info:

PubChemData

Smile

CCCNC1CC(C2=C(C=CC(=C12)C)OCC)(C)C

DOS

IR

Vibrations