Geometry & MOs

Info

ID:	34566
PubChem CID:	7978676
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	367.109897
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	1.8
IP(EA), eV:	-9.08(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)COC4=CC=CC=C4CC5=CC=CC=C5

DOS

IR

Vibrations