Geometry & MOs

Info

ID:	175158
PubChem CID:	75862567
Reduced:	ON5C20H30 (1)
Stoich.:	AB5C20D30 (1)
Weight, g/mol:	378.221523
ΔH_f, kcal/mol:	37.07
Dipole, Da:	8.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814714
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)[NH+]4C(CCC4C)C)N=N1

DOS

IR

Vibrations