Geometry & MOs

Info

ID:

322528

PubChem CID:

126670388

Reduced:

O3N9C28H31 (1)

Stoich.:

A3B9C28D31 (1)

Weight, g/mol:

546.270302

ΔHf, kcal/mol:

37.4

Dipole, Da:

7.59

IP(EA), eV:

 -8.26(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C#N)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