Geometry & MOs

Info

ID:	299739
PubChem CID:	117689055
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	324.187149
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	5.83
IP(EA), eV:	-9.16(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=O)/C(=C(/C)\C=C(C)C)/CN

DOS

IR

Vibrations