Geometry & MOs

Info

ID:	27890
PubChem CID:	824040
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	3.72
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)O)C(=O)NC3=CC(=CC=C3)O

DOS

IR

Vibrations