Geometry & MOs

Info

ID:	397995
PubChem CID:	135031296
Reduced:	O2H8C11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	7.45
IP(EA), eV:	-9.05(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-14,14-dimethyl-13,15-dioxatetracyclo[7.6.1.01,12.03,8]hexadeca-3,5,7,10-tetraen-16-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@H]4C=CC3(C2=O)CC5=CC=CC=C45)O

DOS

IR

Vibrations