Geometry & MOs

Info

ID:	71372
PubChem CID:	48414711
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	367.085432
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	0.49
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C)OC

DOS

IR

Vibrations