Geometry & MOs

Info

ID:	37437
PubChem CID:	8021057
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	379.129884
ΔH_f, kcal/mol:	-116.1
Dipole, Da:	5.34
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C=C/C)C

DOS

IR

Vibrations