Geometry & MOs

Info

ID:	404054
PubChem CID:	135064811
Reduced:	O4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	356.190517
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	3.83
IP(EA), eV:	-8.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-4-methyl-2-phenylphosphonoyloxycyclohexyl]propan-2-ylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC=CC=C3)O)OC)OC

DOS

IR

Vibrations