Geometry & MOs

Info

ID:	77611
PubChem CID:	49658388
Reduced:	FN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	4.87
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-chlorophenyl)methylamino]-8-methyl-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC2=C(C(=O)NC3=C2C=C(C=C3)F)C(=O)OCC

DOS

IR

Vibrations