Geometry & MOs

Info

ID:	221424
PubChem CID:	85272971
Reduced:	ClO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	270.102272
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	1.14
IP(EA), eV:	-9.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(methoxymethoxy)tricyclo[6.2.2.02,7]dodec-5-en-9-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC=C(C=C1)C)OC=O)Cl

DOS

IR

Vibrations