Geometry & MOs

Info

ID:	174249
PubChem CID:	75744230
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	375.221858
ΔH_f, kcal/mol:	-75.45
Dipole, Da:	9.56
IP(EA), eV:	-9.38(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1CC[NH2+]C(C1)C(=O)[O-]

DOS

IR

Vibrations