Geometry & MOs

Info

ID:	121729
PubChem CID:	50779176
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	452.164854
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	7.59
IP(EA), eV:	-8.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations