Geometry & MOs

Info

ID:	71414
PubChem CID:	48414821
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	49.47
Dipole, Da:	4.96
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations