Geometry & MOs

Info

ID:	34414
PubChem CID:	7964549
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	1.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752308
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations