Geometry & MOs

Info

ID:	337496
PubChem CID:	127258119
Reduced:	PO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	482.219766
ΔH_f, kcal/mol:	-193.69
Dipole, Da:	17.54
IP(EA), eV:	-7.12(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[4-(trifluoromethyl)phenoxy]phosphoryl]benzene

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1O[P+](=O)C2=CC=CC=C2)O)CC)O[P+](=O)C3=CC=CC=C3)O

DOS

IR

Vibrations