Geometry & MOs

Info

ID:	208485
PubChem CID:	80534937
Reduced:	NSBr2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	359.86421
ΔH_f, kcal/mol:	12.52
Dipole, Da:	3.62
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCNCCC(C)(C)C1=CC(=C(S1)Br)Br

DOS

IR

Vibrations