Geometry & MOs

Info

ID:	141044
PubChem CID:	52808879
Reduced:	OSN2C19H31 (1)
Stoich.:	ABC2D19E31 (1)
Weight, g/mol:	334.207885
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.030939
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylthiophen-2-yl)-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)N2CCC[C@H](C2)C[NH+]3CCC(CC3)C

DOS

IR

Vibrations