Geometry & MOs

Info

ID:	46514
PubChem CID:	10524887
Reduced:	ClNO4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	398.111401
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	7.98
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[hydroxy-(1-methyl-6-nitro-4-oxoquinolin-2-yl)methyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC=C2N1CC3=CC=CC=C3)CCC(=O)OC)C(=O)C(=O)Cl

DOS

IR

Vibrations