Geometry & MOs

Info

ID:	208441
PubChem CID:	80530849
Reduced:	BrClNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	372.99028
ΔH_f, kcal/mol:	48.42
Dipole, Da:	0.89
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC=CC=C1)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations