Geometry & MOs

Info

ID:

327885

PubChem CID:

126691224

Reduced:

O2N5C23H23 (1)

Stoich.:

A2B5C23D23 (1)

Weight, g/mol:

365.142265

ΔHf, kcal/mol:

47.69

Dipole, Da:

3.6

IP(EA), eV:

 -9.41(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=NC3=CN=C4C=CC(=CC4=C3N2C5CCOC(C5)(C)C)C#N

DOS

IR

Vibrations