Geometry & MOs

Info

ID:	166588
PubChem CID:	74712637
Reduced:	ClNO5C29H32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	451.179501
ΔH_f, kcal/mol:	-171.97
Dipole, Da:	2.78
IP(EA), eV:	-8.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations