Geometry & MOs

Info

ID:

129002

PubChem CID:

51065963

Reduced:

N2O4C25H25 (2)

Stoich.:

A2B4C25D25 (2)

Weight, g/mol:

266.127994

ΔHf, kcal/mol:

-246.36

Dipole, Da:

6.3

IP(EA), eV:

 -8.17(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-7-(4-ethylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=C(C\4=C(C(=C(C(=O)/C4=C\NC5=CC=CC=C5N6C(=O)CCC6)O)C(C)C)C=C3C)O)O)/C(=C/NC7=CC=CC=C7N8C(=O)CCC8)/C(=O)C(=C2C(C)C)O

DOS

IR

Vibrations