Geometry & MOs

Info

ID:	279134
PubChem CID:	103841611
Reduced:	BrClNSO2C14H17 (1)
Stoich.:	ABCDE2F14G17 (1)
Weight, g/mol:	366.01345
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	6.23
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[4-[(dimethylamino)methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COCCN(C1CCSC1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations