Geometry & MOs

Info

ID:	264991
PubChem CID:	103506442
Reduced:	N2S2O3C13H22 (1)
Stoich.:	A2B2C3D13E22 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-142.4
Dipole, Da:	5.67
IP(EA), eV:	-8.22(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)NCCOC(C)C)SC)N

DOS

IR

Vibrations