Geometry & MOs

Info

ID:	31138
PubChem CID:	854731
Reduced:	OH6C7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	6.27
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one

Drug info:

PubChemData

Smile

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

DOS

IR

Vibrations