Geometry & MOs

Info

ID:	34463
PubChem CID:	7978494
Reduced:	F3N3O3H14C18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	315.134969
ΔH_f, kcal/mol:	-184.64
Dipole, Da:	5.38
IP(EA), eV:	-9.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations