Geometry & MOs

Info

ID:	267259
PubChem CID:	103581571
Reduced:	BrClN2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	328.96406
ΔH_f, kcal/mol:	76.07
Dipole, Da:	5.78
IP(EA), eV:	-9.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC2=CC(=C(C=C2)Br)Cl)C#N

DOS

IR

Vibrations