Geometry & MOs

Info

ID:	281420
PubChem CID:	103913848
Reduced:	BrNO2S2C11H18 (1)
Stoich.:	ABC2D2E11F18 (1)
Weight, g/mol:	313.02483
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	5.41
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCCC1=CC=C(S1)Br

DOS

IR

Vibrations