Geometry & MOs

Info

ID:

129035

PubChem CID:

51067484

Reduced:

ClF3N4O4H28C29 (1)

Stoich.:

AB3C4D4E28F29 (1)

Weight, g/mol:

538.178311

ΔHf, kcal/mol:

-231.52

Dipole, Da:

8.26

IP(EA), eV:

 -8.78(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-N-[2-[5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1C(CC(=N1)C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations