Geometry & MOs

Info

ID:	38947
PubChem CID:	8138217
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	4.19
IP(EA), eV:	-9.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-benzoylphenoxy)acetate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations