Geometry & MOs

Info

ID:	425575
PubChem CID:	135126768
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	7.26
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CNC2=C(C1=O)C=CC(=C2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations