Geometry & MOs

Info

ID:	232518
PubChem CID:	87576352
Reduced:	PO13C60H123 (1)
Stoich.:	AB13C60D123 (1)
Weight, g/mol:	426.274641
ΔH_f, kcal/mol:	-887.21
Dipole, Da:	4.74
IP(EA), eV:	-9.34(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2-tributoxyoctyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCC(C(OCCCC)(OCCCC)OP(=O)(OC(C(CCCCCC)OCCCC)(OCCCC)OCCCC)OC(C(CCCCCC)OCCCC)(OCCCC)OCCCC)OCCCC

DOS

IR

Vibrations