Geometry & MOs

Info

ID:	121730
PubChem CID:	50779234
Reduced:	FO2N4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	436.169939
ΔH_f, kcal/mol:	11.91
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)OC

DOS

IR

Vibrations