Geometry & MOs

Info

ID:	337473
PubChem CID:	127258096
Reduced:	PO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	416.211647
ΔH_f, kcal/mol:	-205.87
Dipole, Da:	4.83
IP(EA), eV:	-8.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene-1,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations