Geometry & MOs

Info

ID:	50645
PubChem CID:	12013210
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	368.17763
ΔH_f, kcal/mol:	78.8
Dipole, Da:	0.46
IP(EA), eV:	-8.9(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,7R,8S,14S)-7-methyl-8,10-diphenyl-2-oxatetracyclo[6.5.1.04,14.011,14]tetradeca-5,10-dien-9-one

Drug info:

PubChemData

Smile

C/C=C/C=C/COC(CCC#C)C#C

DOS

IR

Vibrations