Geometry & MOs

Info

ID:	208463
PubChem CID:	80532440
Reduced:	ClSBr2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	337.02666
ΔH_f, kcal/mol:	4.44
Dipole, Da:	2.78
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CCBr)C1=CC(=C(S1)Br)Cl

DOS

IR

Vibrations