Geometry & MOs

Info

ID:	34551
PubChem CID:	7978655
Reduced:	F2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	385.100476
ΔH_f, kcal/mol:	-254.16
Dipole, Da:	4.52
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-difluoroanilino)-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=C(C=C4)OC(F)F

DOS

IR

Vibrations