Geometry & MOs

Info

ID:

322558

PubChem CID:

126670502

Reduced:

FO3N8C28H33 (1)

Stoich.:

AB3C8D28E33 (1)

Weight, g/mol:

540.296122

ΔHf, kcal/mol:

-50.27

Dipole, Da:

4.85

IP(EA), eV:

 -8.45(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxy-2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)F)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