Geometry & MOs

Info

ID:

185486

PubChem CID:

77303041

Reduced:

N2O4C32H43 (1)

Stoich.:

A2B4C32D43 (1)

Weight, g/mol:

549.219206

ΔHf, kcal/mol:

-126.08

Dipole, Da:

3.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751618

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

DOS

IR

Vibrations