Geometry & MOs

Info

ID:	130212
PubChem CID:	51075278
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	50.47
Dipole, Da:	3.07
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methylpropyl)piperazin-1-yl]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC2=C(OC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations