Geometry & MOs

Info

ID:	200827
PubChem CID:	79449390
Reduced:	BrNOC17H28 (1)
Stoich.:	ABCD17E28 (1)
Weight, g/mol:	294.082286
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	2.23
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl]propane-1,3-diol

Drug info:

PubChemData

Smile

CCOCCCC(CNCC(C)C)C1=CC=CC=C1Br

DOS

IR

Vibrations