Geometry & MOs

Info

ID:	14175
PubChem CID:	405818
Reduced:	P2O8C17H28 (1)
Stoich.:	A2B8C17D28 (1)
Weight, g/mol:	422.125942
ΔH_f, kcal/mol:	-477.61
Dipole, Da:	4.65
IP(EA), eV:	-9.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-9-phenylmethoxynon-2-enyl) phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=CCOP(=O)(O)OP(=O)(O)O)CCCCCCOCC1=CC=CC=C1

DOS

IR

Vibrations