Geometry & MOs

Info

ID:	161218
PubChem CID:	57391072
Reduced:	F2N3O4C36H45 (1)
Stoich.:	A2B3C4D36E45 (1)
Weight, g/mol:	389.098726
ΔH_f, kcal/mol:	-237.75
Dipole, Da:	4.32
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H]1CCN(C1=O)[C@@H](CCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)[C@@H](CNCC4=CC(=CC=C4)OC)O

DOS

IR

Vibrations