Geometry & MOs

Info

ID:	370869
PubChem CID:	127341167
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	50.15
Dipole, Da:	5.55
IP(EA), eV:	-9.39(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylethyl)-2-(3-oxo-2-phenylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations