Geometry & MOs

Info

ID:	191994
PubChem CID:	78211174
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	7.24
Dipole, Da:	6.49
IP(EA), eV:	-9.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2-oxo-3H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(C(=O)N2)C(C3=CC=CC=C3)SC#N

DOS

IR

Vibrations