Geometry & MOs

Info

ID:	426873
PubChem CID:	135154285
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	297.056112
ΔH_f, kcal/mol:	-1.71
Dipole, Da:	4.79
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,6-difluoro-3-nitrophenyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(C=C3)N(N=C4)C

DOS

IR

Vibrations