Geometry & MOs

Info

ID:	337497
PubChem CID:	127258120
Reduced:	PF3O3C26H34 (1)
Stoich.:	AB3C3D26E34 (1)
Weight, g/mol:	422.201082
ΔH_f, kcal/mol:	-371.52
Dipole, Da:	3.79
IP(EA), eV:	-9.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis(4-phenylbutyl)phosphoryloxy]phenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(C2=C(C=C(C=C2C)C)C)OC3=CC=C(C=C3)C(F)(F)F)C(C)C

DOS

IR

Vibrations