Geometry & MOs

Info

ID:

309647

PubChem CID:

126551834

Reduced:

N2O2H36C65 (1)

Stoich.:

A2B2C36D65 (1)

Weight, g/mol:

398.209324

ΔHf, kcal/mol:

252.26

Dipole, Da:

5.96

IP(EA), eV:

 -8.45(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C#N)C4=C2C=CC(=C4)C5=CC(=CC(=C5)C6=CC7=CC=CC=C7C8=C6OC9=C8C1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations