Geometry & MOs

Info

ID:	430055
PubChem CID:	135170112
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	294.174867
ΔH_f, kcal/mol:	0.85
Dipole, Da:	4.46
IP(EA), eV:	-8.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-ethylphosphanylpropan-2-yl)phenyl]cyclohexane-1,4-diol

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)CNC(=O)/C(=C/C=C(/C)\N)/C=C

DOS

IR

Vibrations