Geometry & MOs

Info

ID:	194060
PubChem CID:	78475272
Reduced:	ClNF3O4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-272.17
Dipole, Da:	5.42
IP(EA), eV:	-8.69(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C=CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations