Geometry & MOs

Info

ID:	425576
PubChem CID:	135126769
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	5.71
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-4-oxo-7-(4-phenylpiperazin-1-yl)-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N3CCN(CC3)C4=CC=CC=C4)NC=C(C2=O)C(=O)OC

DOS

IR

Vibrations