Geometry & MOs

Info

ID:	364953
PubChem CID:	127316603
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	4.31
IP(EA), eV:	-8.75(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyclobutylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations