Geometry & MOs

Info

ID:	71670
PubChem CID:	48415179
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	24.43
Dipole, Da:	3.55
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations