Geometry & MOs

Info

ID:	425564
PubChem CID:	135126732
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	5.82
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations