Geometry & MOs

Info

ID:	337481
PubChem CID:	127258104
Reduced:	PO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	428.248032
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	3.24
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3C)C(C)C

DOS

IR

Vibrations