Geometry & MOs

Info

ID:

322559

PubChem CID:

126670504

Reduced:

ON4C15H18 (2)

Stoich.:

AB4C15D18 (2)

Weight, g/mol:

573.281201

ΔHf, kcal/mol:

60.73

Dipole, Da:

2.43

IP(EA), eV:

 -8.16(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN(C)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=CC(=N3)N4C=CC5=CC=CC=C54)OC

DOS

IR

Vibrations