Geometry & MOs

Info

ID:

377165

PubChem CID:

134223203

Reduced:

F2O2N9C23H25 (1)

Stoich.:

A2B2C9D23E25 (1)

Weight, g/mol:

498.255481

ΔHf, kcal/mol:

-31.73

Dipole, Da:

5.03

IP(EA), eV:

 -8.8(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[(3,3-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]-5-fluoropyrimidin-2-yl]amino]-4-fluoro-2-(oxan-4-yloxy)benzonitrile

Drug info:

PubChemData

Smile

CN1C(=O)N(N=N1)C2=CC(=C(C=C2C3CC3)F)NC4=NC=C(C(=N4)NC5CC6CCCN6C(=O)C5)F

DOS

IR

Vibrations