Geometry & MOs

Info

ID:	364892
PubChem CID:	127316480
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-128.69
Dipole, Da:	5.5
IP(EA), eV:	-8.97(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations