Geometry & MOs

Info

ID:	322895
PubChem CID:	126671546
Reduced:	ClC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	333.12957
ΔH_f, kcal/mol:	15.19
Dipole, Da:	1.44
IP(EA), eV:	-9.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-chloro-3-(3-ethyl-2-fluorophenyl)phenyl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2C1C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations