Geometry & MOs

Info

ID:	54978
PubChem CID:	17389613
Reduced:	N2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	2.37
IP(EA), eV:	-8.2(3.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanylphenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCCCN2

DOS

IR

Vibrations