Geometry & MOs

Info

ID:	34557
PubChem CID:	7978662
Reduced:	F2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-257.31
Dipole, Da:	3.43
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CNC(=O)C4=CC=CC=C4OC(F)F

DOS

IR

Vibrations