Geometry & MOs

Info

ID:	337507
PubChem CID:	127258130
Reduced:	PF3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	417.17051
ΔH_f, kcal/mol:	-336.14
Dipole, Da:	3.33
IP(EA), eV:	-9.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations