Geometry & MOs

Info

ID:	337525
PubChem CID:	127258148
Reduced:	PO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	428.248032
ΔH_f, kcal/mol:	-235.59
Dipole, Da:	2.07
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOP(=O)(C1=CC=CC=C1O)OCCCC

DOS

IR

Vibrations