Geometry & MOs

Info

ID:	153801
PubChem CID:	56313114
Reduced:	FO3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	3.45
IP(EA), eV:	-8.69(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations