Geometry & MOs

Info

ID:	141043
PubChem CID:	52808528
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	335.21571
ΔH_f, kcal/mol:	-97.35
Dipole, Da:	5.61
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)C3=NOC(=C3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations