Geometry & MOs

Info

ID:	181507
PubChem CID:	76753910
Reduced:	PO4C17H33 (1)
Stoich.:	AB4C17D33 (1)
Weight, g/mol:	524.277404
ΔH_f, kcal/mol:	-229.17
Dipole, Da:	1.15
IP(EA), eV:	-9.22(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-[5-hydroxy-1-[(4-methoxyphenyl)methoxy]hex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCCC1C(OC(O1)(C)C)C(C=CC(C)C(C)CPOC)O

DOS

IR

Vibrations