Geometry & MOs

Info

ID:	279127
PubChem CID:	103841536
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	339.90727
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	4.97
IP(EA), eV:	-9.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(3-cyanothiophen-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations