Geometry & MOs

Info

ID:	71332
PubChem CID:	48414634
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	1.5
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations