Geometry & MOs

Info

ID:	61974
PubChem CID:	26716426
Reduced:	SO2N3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	9.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096629
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3

DOS

IR

Vibrations