Geometry & MOs

Info

ID:	8469
PubChem CID:	78107
Reduced:	PO4C13H29 (1)
Stoich.:	AB4C13D29 (1)
Weight, g/mol:	280.180346
ΔH_f, kcal/mol:	-303.14
Dipole, Da:	3.65
IP(EA), eV:	-10.92(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl octyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCOP(=O)(O)OCCC(C)C

DOS

IR

Vibrations