Geometry & MOs

Info

ID:	322896
PubChem CID:	126671547
Reduced:	ClFNOC19H21 (1)
Stoich.:	ABCDE19F21 (1)
Weight, g/mol:	319.11392
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	3.75
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-chloro-3-(2-fluoro-3-methylphenyl)phenyl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C2=C(C=CC(=C2)C(=O)[C@H](C(C)C)N)Cl)F

DOS

IR

Vibrations