Geometry & MOs

Info

ID:	195697
PubChem CID:	78724283
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	361.249118
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	10.08
IP(EA), eV:	-8.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=S)N(C)C(C)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations