Geometry & MOs

Info

ID:

32182

PubChem CID:

6435783

Reduced:

O3C27H40 (1)

Stoich.:

A3B27C40 (1)

Weight, g/mol:

440.11928

ΔHf, kcal/mol:

-120.9

Dipole, Da:

1.72

IP(EA), eV:

 -8.65(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,8-dimethyl-4a-[4-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]phenyl]-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione

Drug info:

PubChemData

Smile

C[C@H](/C=C/[C@@H](C1CC1)O)C2CCC\3C2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

DOS

IR

Vibrations