Geometry & MOs

Info

ID:	216344
PubChem CID:	85086077
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	-221.33
Dipole, Da:	0.8
IP(EA), eV:	-9.99(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxytetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCC1C2COC(O2)(C)C

DOS

IR

Vibrations