Geometry & MOs

Info

ID:	34488
PubChem CID:	7978537
Reduced:	ClN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	5.07
IP(EA), eV:	-9.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations