Geometry & MOs

Info

ID:	208006
PubChem CID:	80480416
Reduced:	BrSN2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	276.02958
ΔH_f, kcal/mol:	4.42
Dipole, Da:	2.49
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-bromothiophen-2-yl)methyl]-N-methylbutane-1,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CCNCC2=C(C=CS2)Br)N

DOS

IR

Vibrations