Geometry & MOs

Info

ID:	173829
PubChem CID:	75689446
Reduced:	OSN3C22H31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	359.244701
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	2.52
IP(EA), eV:	-8.91(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations