Geometry & MOs

Info

ID:	55050
PubChem CID:	17389702
Reduced:	NCl3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	305.094934
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	5.94
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4,5-dimethoxyphenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2=C(C=C(C=C2)Cl)Cl.Cl

DOS

IR

Vibrations