Geometry & MOs

Info

ID:

193616

PubChem CID:

78413052

Reduced:

N2O9F26C56H84 (1)

Stoich.:

A2B9C26D56E84 (1)

Weight, g/mol:

415.221954

ΔHf, kcal/mol:

-1854.78

Dipole, Da:

5.13

IP(EA), eV:

 -9.59(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-ethoxyphenyl)-3-(2-methoxyethyl)-1-methyl-4a,6,7,8,9,11a-hexahydropurino[7,8-a][1,3]diazepine-2,4-dione

Drug info:

PubChemData

Smile

C(CCCCCCCCCCCCN(CCOC1C(C(C(C(O1)CO)O)O)O)C(=O)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCCCCN(CCO)C(=O)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations