Geometry & MOs

Info

ID:	129046
PubChem CID:	51068044
Reduced:	ClF3N3O3H23C27 (1)
Stoich.:	AB3C3D3E23F27 (1)
Weight, g/mol:	451.129884
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	6.5
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations