Geometry & MOs

Info

ID:	22964
PubChem CID:	600161
Reduced:	P2O5C18H36 (1)
Stoich.:	A2B5C18D36 (1)
Weight, g/mol:	394.203798
ΔH_f, kcal/mol:	-408.26
Dipole, Da:	2.64
IP(EA), eV:	-10.2(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,2-dimethylcyclohexyl)oxy-methylphosphoryl]oxy-methylphosphoryl]oxy-1,1-dimethylcyclohexane

Drug info:

PubChemData

Smile

CC1(CCCCC1OP(=O)(C)OP(=O)(C)OC2CCCCC2(C)C)C

DOS

IR

Vibrations