Geometry & MOs

Info

ID:	337482
PubChem CID:	127258105
Reduced:	PO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	428.248032
ΔH_f, kcal/mol:	-185.94
Dipole, Da:	4.46
IP(EA), eV:	-8.99(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C

DOS

IR

Vibrations