Geometry & MOs

Info

ID:	142441
PubChem CID:	53034389
Reduced:	OF2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	440.01941
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	2.88
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3,5-dimethylphenyl) 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNC(=O)C2=CC3=C(C=C2)C=NN3CC4=CC=C(C=C4)F

DOS

IR

Vibrations