Geometry & MOs

Info

ID:	70858
PubChem CID:	48413964
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	360.138639
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	5.58
IP(EA), eV:	-9.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations