Geometry & MOs

Info

ID:	337480
PubChem CID:	127258103
Reduced:	PO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	386.201082
ΔH_f, kcal/mol:	-216.04
Dipole, Da:	3.12
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)OC3=CC=C(C=C3)O)C(C)C

DOS

IR

Vibrations