Geometry & MOs

Info

ID:	23726
PubChem CID:	605540
Reduced:	O3C21H22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	322.156895
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	5.67
IP(EA), eV:	-8.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,14-dimethoxypentacyclo[7.6.2.23,7.02,8.010,15]nonadeca-5,10,12,14,18-pentaen-4-one

Drug info:

PubChemData

Smile

COC1=C2C3CCC(C2=C(C=C1)OC)C4C3C5C=CC4C(=O)C=C5

DOS

IR

Vibrations