Geometry & MOs

Info

ID:	34502
PubChem CID:	7978578
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	327.134969
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	3.45
IP(EA), eV:	-9.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N)Cl

DOS

IR

Vibrations