Geometry & MOs

Info

ID:	188952
PubChem CID:	77792125
Reduced:	O4N5C20H29 (1)
Stoich.:	A4B5C20D29 (1)
Weight, g/mol:	416.172305
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	2.45
IP(EA), eV:	-9.25(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-fluorophenyl)-4-hydroxy-6-methyl-2-oxo-5-(trifluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1NC2C(C(=O)N1)N(CN2CCCCOC(=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations