Geometry & MOs

Info

ID:

322459

PubChem CID:

126670203

Reduced:

O2N4C15H18 (2)

Stoich.:

A2B4C15D18 (2)

Weight, g/mol:

574.281615

ΔHf, kcal/mol:

-18.7

Dipole, Da:

6.53

IP(EA), eV:

 -8.29(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-[3-(cyclopropylmethyl)-5-fluoro-2-oxobenzimidazol-1-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide

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)OC)N(C3=O)C5CC5)OC

DOS

IR

Vibrations