Geometry & MOs

Info

ID:	55070
PubChem CID:	17389727
Reduced:	NSBr2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	340.92715
ΔH_f, kcal/mol:	7.01
Dipole, Da:	2.71
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)azepane;hydrobromide

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC=C(S2)Br.Br

DOS

IR

Vibrations