Geometry & MOs

Info

ID:

179996

PubChem CID:

76563922

Reduced:

NiN2O2C56H84 (1)

Stoich.:

AB2C2D56E84 (1)

Weight, g/mol:

410.290643

ΔHf, kcal/mol:

-43.48

Dipole, Da:

3.75

IP(EA), eV:

 -7.98(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-(1-methyl-2,3-dihydroindol-2-yl)-6-N-(5-methylpyrazolidin-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC=C1)CCCC)NC2=CC(=CC(=C2[O-])C(C)(C)C)C(C)(C)C.CCCCC1=C(C(=CC=C1)CCCC)NC2=CC(=CC(=C2[O-])C(C)(C)C)C(C)(C)C.[Ni+2]

DOS

IR

Vibrations