Geometry & MOs

Info

ID:	82856
PubChem CID:	49856692
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	2.46
IP(EA), eV:	-10.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2E)-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]-5-methylhexa-2,4-dien-1-ol

Drug info:

PubChemData

Smile

C[C@@](COC(=O)C1=CC=CC=C1)(C=C)O

DOS

IR

Vibrations