Geometry & MOs

Info

ID:

84697

PubChem CID:

49869348

Reduced:

O2N3C26H27 (1)

Stoich.:

A2B3C26D27 (1)

Weight, g/mol:

568.283427

ΔHf, kcal/mol:

1.49

Dipole, Da:

3.36

IP(EA), eV:

 -8.01(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[3-(dimethylamino)propyl]-2-N-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CN1CCCC2=C(C1)C3=C(N2C)C=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5

DOS

IR

Vibrations