Geometry & MOs

Info

ID:	337479
PubChem CID:	127258102
Reduced:	PO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	388.180346
ΔH_f, kcal/mol:	-205.53
Dipole, Da:	2.27
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(CC2=CC=C(C=C2)C=C)C3=C(C=CC(=C3)O)O)C(C)C

DOS

IR

Vibrations