Geometry & MOs

Info

ID:	337488
PubChem CID:	127258111
Reduced:	PO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	417.17051
ΔH_f, kcal/mol:	-212.21
Dipole, Da:	4.76
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy-3-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations