Geometry & MOs

Info

ID:

226827

PubChem CID:

87558547

Reduced:

AlN2O4C29H38 (1)

Stoich.:

AB2C4D29E38 (1)

Weight, g/mol:

505.264696

ΔHf, kcal/mol:

-8.25

Dipole, Da:

4.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.193873

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O.C1=CC=C(C(=C1)NO)N=O.[Al]

DOS

IR

Vibrations