Geometry & MOs

Info

ID:

219038

PubChem CID:

85090398

Reduced:

N2O4H11C14 (2)

Stoich.:

A2B4C11D14 (2)

Weight, g/mol:

544.207033

ΔHf, kcal/mol:

-156.27

Dipole, Da:

5.28

IP(EA), eV:

 -8.44(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(cyanomethyl)-1-[(4-methoxyphenyl)methyl]-2,6-dioxo-1,3-diazinan-4-yl]-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C=CC3=O)C4C(C(=O)N4C5=CC=C(C=C5)OC)N6C(=O)C=CC6=O

DOS

IR

Vibrations