Geometry & MOs

Info

ID:	425563
PubChem CID:	135126725
Reduced:	N3O5C15H23 (1)
Stoich.:	A3B5C15D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-208.36
Dipole, Da:	6.39
IP(EA), eV:	-9.58(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CCOCCC(=O)NCCN1C(=O)C=CC1=O

DOS

IR

Vibrations