Geometry & MOs

Info

ID:	34413
PubChem CID:	7964548
Reduced:	N3O4H15C17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	5.28
IP(EA), eV:	-9.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC2=CC=CC(=C2)C#N

DOS

IR

Vibrations