Geometry & MOs

Info

ID:	140445
PubChem CID:	52698581
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	422.247738
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	3.34
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ium-1-ylpropyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=CC=C(C=C1)OCCC(C)C)CN2CCCC2

DOS

IR

Vibrations