Geometry & MOs

Info

ID:

411713

PubChem CID:

135084547

Reduced:

N2Zn2O3C46H53 (1)

Stoich.:

A2B2C3D46E53 (1)

Weight, g/mol:

811.26079

ΔHf, kcal/mol:

-88.49

Dipole, Da:

12.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.055166

Charge, e:

 1

Chem-info

IUPAC name:

zinc;2,6-bis[[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethylphenol;ethane;zinc

Drug info:

PubChemData

Smile

C[CH2-].CC1=CC(=C(C(=C1CN2CCCC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)CN5CCCC5C(C6=CC=CC=C6)(C7=CC=CC=C7)O)C.[Zn].[Zn+2]

DOS

IR

Vibrations