Geometry & MOs

Info

ID:

403615

PubChem CID:

135061015

Reduced:

O5C38H40 (1)

Stoich.:

A5B38C40 (1)

Weight, g/mol:

1410.776719

ΔHf, kcal/mol:

-75.35

Dipole, Da:

3.38

IP(EA), eV:

 -9.01(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

manganese(3+);3,4,8,9,13,14,18,19-octakis(4-tert-butylphenyl)-6,11,16,21-tetraza-20,22,23-triazanidapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5,7,9,11,13,15(21),16,18-decaene

Drug info:

PubChemData

Smile

C=CC/C=C\1/[C@H](C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations