Geometry & MOs

Info

ID:	298549
PubChem CID:	117651008
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	467.292637
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	2.61
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[2-(2,2-dimethylbutanoyloxymethyl)-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoyl]oxymethyl]phenyl]methyl-trimethylphosphanium

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/C/C=C/C(=O)OC)/C)/C)C

DOS

IR

Vibrations