Geometry & MOs

Info

ID:	55283
PubChem CID:	17389999
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	289.02329
ΔH_f, kcal/mol:	26.24
Dipole, Da:	4.04
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(S1)N)C#N)C

DOS

IR

Vibrations