Geometry & MOs

Info

ID:	39513
PubChem CID:	8141094
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	2.77
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-benzoylpiperazin-1-yl)-2-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(C)CC2=CC=CC=C2Cl)O

DOS

IR

Vibrations