Geometry & MOs

Info

ID:	337518
PubChem CID:	127258141
Reduced:	PO2C19H30 (1)
Stoich.:	AB2C19D30 (1)
Weight, g/mol:	414.232382
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	3.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778511
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenoxyphosphoryl]propan-2-ylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O[P+](=O)C2=C(C=C(C=C2C)C)C)C(C)C

DOS

IR

Vibrations