Geometry & MOs

Info

ID:	165756
PubChem CID:	74593595
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	321.20006
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	3.51
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3C(N(C(=O)NC3=O)CCC)N

DOS

IR

Vibrations