Geometry & MOs

Info

ID:	121854
PubChem CID:	50784221
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	496.211055
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	6.54
IP(EA), eV:	-8.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[(2-methylbenzoyl)amino]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CC4=CC=CC=C4OC

DOS

IR

Vibrations