Geometry & MOs

Info

ID:	431566
PubChem CID:	135171654
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	375.99105
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	3.07
IP(EA), eV:	-8.4(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-fluorophenyl)-6-(2-fluorophenyl)benzene-1,3-diol

Drug info:

PubChemData

Smile

CCC1CCC1N(CC(C)C)C2CCOCC2

DOS

IR

Vibrations