Geometry & MOs

Info

ID:	279138
PubChem CID:	103841630
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	306.94333
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-methylsulfanylethyl)benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations