Geometry & MOs

Info

ID:

144514

PubChem CID:

53379801

Reduced:

N4O5C24H24 (1)

Stoich.:

A4B5C24D24 (1)

Weight, g/mol:

524.214759

ΔHf, kcal/mol:

-123.6

Dipole, Da:

6.3

IP(EA), eV:

 -9.23(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 7-(4-cyanophenyl)-2-[2-(dimethylamino)ethyl]-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)COC1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)NC3=CC=NC=C3)CN

DOS

IR

Vibrations