Geometry & MOs

Info

ID:

68333

PubChem CID:

46508206

Reduced:

N3O3H21C22 (1)

Stoich.:

A3B3C21D22 (1)

Weight, g/mol:

490.157638

ΔHf, kcal/mol:

-55.67

Dipole, Da:

4.94

IP(EA), eV:

 -8.47(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4CCNC4=O

DOS

IR

Vibrations