Geometry & MOs

Info

ID:

322462

PubChem CID:

126670207

Reduced:

O2N4C15H19 (2)

Stoich.:

A2B4C15D19 (2)

Weight, g/mol:

516.259737

ΔHf, kcal/mol:

-56.41

Dipole, Da:

4.58

IP(EA), eV:

 -8.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-(hydroxymethyl)-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CC(=C2)CO)N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations