Geometry & MOs

Info

ID:

322529

PubChem CID:

126670390

Reduced:

O2N4C14H17 (2)

Stoich.:

A2B4C14D17 (2)

Weight, g/mol:

560.285952

ΔHf, kcal/mol:

-25.21

Dipole, Da:

8.62

IP(EA), eV:

 -8.01(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)C3=NC(=NC=C3OC)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations