Geometry & MOs

Info

ID:

400417

PubChem CID:

135047857

Reduced:

NO4C18H20 (1)

Stoich.:

AB4C18D20 (1)

Weight, g/mol:

410.081659

ΔHf, kcal/mol:

-68.4

Dipole, Da:

7.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.047509

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCOC1=C(C=CC=C1OC)C2(C=CC(=C[CH]2)OC)CC#N

DOS

IR

Vibrations