Geometry & MOs

Info

ID:

214920

PubChem CID:

85083851

Reduced:

N4O5C38H48 (1)

Stoich.:

A4B5C38D48 (1)

Weight, g/mol:

643.289365

ΔHf, kcal/mol:

-179.69

Dipole, Da:

5.18

IP(EA), eV:

 -8.97(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dimethoxyoxolan-2-yl]-5-methyl-2,6-dioxo-1,3-diazinan-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)C(C1=NC=CN1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations