Geometry & MOs

Info

ID:	425574
PubChem CID:	135126764
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	5.83
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-7-(4-phenylpiperazin-1-yl)-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(=CNC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations