Geometry & MOs

Info

ID:

412014

PubChem CID:

135084877

Reduced:

ON2H22C30 (2)

Stoich.:

AB2C22D30 (2)

Weight, g/mol:

941.26129

ΔHf, kcal/mol:

295.61

Dipole, Da:

8.78

IP(EA), eV:

 -7.76(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,2-N-bis[(R)-(4-tert-butylphenyl)-pyridin-2-ylmethyl]-1-N,2-N-dimethylcyclohexane-1,2-diamine;manganese(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C=C(N=C1)[C@@H](CN/C=C\2/C=C3C=CC=CC3=C(C2=O)C4=C(C=CC5=CC=CC=C54)C6=CC=CC=C6)N/C=C\7/C=C8C=CC=CC8=C(C7=O)C9=C(C=CC1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations