Geometry & MOs

Info

ID:	30249
PubChem CID:	841039
Reduced:	BrOSN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	44.81
Dipole, Da:	6.1
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(dimethylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NN=CC2=CC(=CC=C2)Br

DOS

IR

Vibrations