Geometry & MOs

Info

ID:	337522
PubChem CID:	127258145
Reduced:	PO3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	444.242947
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	4.08
IP(EA), eV:	-9.12(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenoxy)-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-1,3,5-trimethylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=C(C=C(C=C2C)C)C)OC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations