Geometry & MOs

Info

ID:	121847
PubChem CID:	50783971
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	8.45
IP(EA), eV:	-8.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methoxybenzoyl)amino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CC(=O)NCCOC

DOS

IR

Vibrations