Geometry & MOs

Info

ID:

190135

PubChem CID:

77959751

Reduced:

SN4O5C38H48 (1)

Stoich.:

AB4C5D38E48 (1)

Weight, g/mol:

428.256269

ΔHf, kcal/mol:

-135.95

Dipole, Da:

6.38

IP(EA), eV:

 -8.4(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-N-[3-[(2-aminopyrrolo[2,3-b]pyrazin-1-ium-1-ylidene)-(methylamino)methyl]cyclopentyl]-1-N,1-N-dimethylnaphthalene-1,5-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)N(CC2=CN(C3C2C=CC=C3)CCNS(=O)(=O)C)C4CC4)C5=CC=CC(=C5)C6=CC=CC=C6

DOS

IR

Vibrations