Geometry & MOs

Info

ID:	217244
PubChem CID:	85087491
Reduced:	O6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	346.169782
ΔH_f, kcal/mol:	-243.58
Dipole, Da:	5.02
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-diphenylphosphoryl-2,5-dimethylhexane-1,3-diol

Drug info:

PubChemData

Smile

CC1C(C(C=C2C1(CC3=C(C(=O)OC3=C2)C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations