Geometry & MOs

Info

ID:

446207

PubChem CID:

135273135

Reduced:

N2O2C17H19 (2)

Stoich.:

A2B2C17D19 (2)

Weight, g/mol:

546.250315

ΔHf, kcal/mol:

-11.9

Dipole, Da:

6.61

IP(EA), eV:

 -8.25(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]amino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C(C2=NC1=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C=C5C(=C(C(=C2)N5)CCC(=O)O)C)C=C)C)C=C)C)CCC(=O)O

DOS

IR

Vibrations