Geometry & MOs

Info

ID:	372661
PubChem CID:	131301748
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	3.01
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-dimethoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)C(=N1)C(CCN)O

DOS

IR

Vibrations