Geometry & MOs

Info

ID:	834
PubChem CID:	3416
Reduced:	PO4C9H11 (2)
Stoich.:	AB4C9D11 (2)
Weight, g/mol:	428.078992
ΔH_f, kcal/mol:	-435.31
Dipole, Da:	4.85
IP(EA), eV:	-9.34(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC(=C(CC)C1=CC=C(C=C1)OP(=O)(O)O)C2=CC=C(C=C2)OP(=O)(O)O

DOS

IR

Vibrations