Geometry & MOs

Info

ID:	36330
PubChem CID:	8001769
Reduced:	OSN3H17C22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	373.223966
ΔH_f, kcal/mol:	89.37
Dipole, Da:	3.91
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

DOS

IR

Vibrations