Geometry & MOs

Info

ID:

227566

PubChem CID:

87562003

Reduced:

O2N3Cl4C25H30 (1)

Stoich.:

A2B3C4D25E30 (1)

Weight, g/mol:

581.189571

ΔHf, kcal/mol:

-55.67

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757154

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN(C)CCC[N+](C)([C@@H](CC1=C(C=C(C=C1)Cl)Cl)C(=O)N)C(=O)C2(CC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations