Geometry & MOs

Info

ID:	245747
PubChem CID:	103023442
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	258.082286
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	4.44
IP(EA), eV:	-9.38(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)(CCC(CCCCN)C(=O)O)OC

DOS

IR

Vibrations