Geometry & MOs

Info

ID:	167864
PubChem CID:	74887317
Reduced:	NOH4F5C10 (1)
Stoich.:	ABC4D5E10 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-221.77
Dipole, Da:	3.04
IP(EA), eV:	-10.22(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-ethyl-6H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=C(C=C(C2C1=NC(=CC2=O)C(F)(F)F)F)F

DOS

IR

Vibrations