Geometry & MOs

Info

ID:	153370
PubChem CID:	56312557
Reduced:	ClF3N3O3H19C20 (1)
Stoich.:	AB3C3D3E19F20 (1)
Weight, g/mol:	423.98164
ΔH_f, kcal/mol:	-215.04
Dipole, Da:	7.06
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromothiophene-2-carbonyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CN3C=C(C=CC3=N2)Cl)OCC(F)(F)F

DOS

IR

Vibrations