Geometry & MOs

Info

ID:	193838
PubChem CID:	78445238
Reduced:	NO5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	543.181251
ΔH_f, kcal/mol:	-197.01
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 7-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations