Geometry & MOs

Info

ID:	127679
PubChem CID:	51010996
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,6S,7R)-1,10,10-trimethyl-4-[(E)-2-phenylethenyl]-3,5-dioxatricyclo[5.2.1.02,6]decane

Drug info:

PubChemData

Smile

C/C/1=C\CC[C@@]23[C@H](O2)[C@@H](C4=C(C=CC(=C4C1)O)O)OC3=O

DOS

IR

Vibrations