Geometry & MOs

Info

ID:	71708
PubChem CID:	48415242
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	4.61
IP(EA), eV:	-8.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1C=C(N2)C(=O)N3CCN(CC3)CCC#C)OC)OC

DOS

IR

Vibrations