Geometry & MOs

Info

ID:	56814
PubChem CID:	22391031
Reduced:	ClN2O3H29C31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	7.81
IP(EA), eV:	-8.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dihydroxy-6,7-dimethoxy-1-methyl-2H-quinolin-3-yl)-N-pyridin-4-ylformamide

Drug info:

PubChemData

Smile

CCCN1C(C(=C(C2=CC=CC=C21)O)C(=O)CC(C3=CC=C(C=C3)Cl)NC4=CC=CC5=CC=CC=C54)O

DOS

IR

Vibrations