Geometry & MOs

Info

ID:

439433

PubChem CID:

135229207

Reduced:

N6H28C43 (1)

Stoich.:

A6B28C43 (1)

Weight, g/mol:

497.262482

ΔHf, kcal/mol:

266.7

Dipole, Da:

4.3

IP(EA), eV:

 -8.51(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide

Drug info:

PubChemData

Smile

CC=NC1=C(C=CC2=C1N=C(C=C2)C3=CC(=CC(=C3)C4=NC5=C(C=CC6=C5N=CC=C6)C=C4)C7=NC8=C(C=CC9=C8N=CC=C9)C=C7)C=C

DOS

IR

Vibrations