Geometry & MOs

Info

ID:	425579
PubChem CID:	135126776
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-122.98
Dipole, Da:	6.76
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CNC2=C(C1=O)C=CC(=C2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations