Geometry & MOs

Info

ID:	68248
PubChem CID:	46508044
Reduced:	FCl2N2O4H13C18 (1)
Stoich.:	AB2C2D4E13F18 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-190.23
Dipole, Da:	2.8
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations