Geometry & MOs

Info

ID:	337517
PubChem CID:	127258140
Reduced:	PO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	321.198342
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	3.56
IP(EA), eV:	-9.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxo-(2,4,6-trimethylphenyl)phosphanium

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)C3=CC=CC(=C3O)C)C(C)C

DOS

IR

Vibrations