Geometry & MOs

Info

ID:

322460

PubChem CID:

126670205

Reduced:

FO3N8C30H35 (1)

Stoich.:

AB3C8D30E35 (1)

Weight, g/mol:

585.281201

ΔHf, kcal/mol:

-30.93

Dipole, Da:

8.26

IP(EA), eV:

 -7.89(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropyl-1-[2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-2-oxobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C4=C(C=C(C=C4)F)N(C3=O)CC5CC5)OC

DOS

IR

Vibrations