Geometry & MOs

Info

ID:	276427
PubChem CID:	103823226
Reduced:	OF3N3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-191.65
Dipole, Da:	4.45
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-chloroquinolin-4-yl)amino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=NC=C(C=C1)C(F)(F)F)C(=O)NC

DOS

IR

Vibrations