Geometry & MOs

Info

ID:	55875
PubChem CID:	17396860
Reduced:	OS2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	71.16
Dipole, Da:	5.42
IP(EA), eV:	-8.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxybenzamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations