Geometry & MOs

Info

ID:	34415
PubChem CID:	7964550
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	2.53
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations