Geometry & MOs

Info

ID:	277121
PubChem CID:	103826851
Reduced:	BrClNOSC12H15 (1)
Stoich.:	ABCDEF12G15 (1)
Weight, g/mol:	348.02402
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC(=C1)Br)Cl)SC

DOS

IR

Vibrations