Geometry & MOs

Info

ID:	194014
PubChem CID:	78468421
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	335.197082
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	2.97
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C

DOS

IR

Vibrations