Geometry & MOs

Info

ID:	129523
PubChem CID:	51072944
Reduced:	SO2N5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-14.21
Dipole, Da:	8.71
IP(EA), eV:	-9.28(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CSC1=NC(=O)C2=CNNC2=N1

DOS

IR

Vibrations