Geometry & MOs

Info

ID:	190853
PubChem CID:	78068952
Reduced:	ClFNOH11C13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	2.47
IP(EA), eV:	-9.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methoxy-4-(4-nitrophenyl)butan-2-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=O)C1CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations