Geometry & MOs

Info

ID:

48064

PubChem CID:

10536907

Reduced:

NO2C13H18 (1)

Stoich.:

AB2C13D18 (1)

Weight, g/mol:

220.078268

ΔHf, kcal/mol:

-32.06

Dipole, Da:

1.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757433

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1(COCC(N1[O])(C)C2=CC=CC=C2)C

DOS

IR

Vibrations