Geometry & MOs

Info

ID:	196789
PubChem CID:	78878548
Reduced:	FN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	4.77
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-benzoylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CC=C3)F

DOS

IR

Vibrations