Geometry & MOs

Info

ID:

442931

PubChem CID:

135256940

Reduced:

O2N9H25C27 (1)

Stoich.:

A2B9C25D27 (1)

Weight, g/mol:

504.213455

ΔHf, kcal/mol:

74.95

Dipole, Da:

4.46

IP(EA), eV:

 -8.73(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methyl-6-[[(2E)-2-(methylaminomethylidene)imidazol-4-yl]amino]pyrimidin-2-yl]-N-[(6-pyridin-3-ylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)NC5=CN=C(N5)C

DOS

IR

Vibrations