Geometry & MOs

Info

ID:	34437
PubChem CID:	7978466
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	415.11104
ΔH_f, kcal/mol:	-108.9
Dipole, Da:	5.44
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations