Geometry & MOs

Info

ID:	394599
PubChem CID:	135023273
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	320.17763
ΔH_f, kcal/mol:	28.19
Dipole, Da:	2.38
IP(EA), eV:	-9.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,8Z)-8-(4-phenylbut-1-en-2-yl)-2-oxatricyclo[5.5.1.04,13]trideca-7(13),8-dien-6-one

Drug info:

PubChemData

Smile

CC(=C)C#C[C@@H](C(C)(C)CC=C)OCC=C

DOS

IR

Vibrations