Geometry & MOs

Info

ID:	425577
PubChem CID:	135126770
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	6.31
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-7-[4-(4-methylphenyl)piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations