Geometry & MOs

Info

ID:

377170

PubChem CID:

134223208

Reduced:

ClFON6C25H32 (1)

Stoich.:

ABCD6E25F32 (1)

Weight, g/mol:

486.291866

ΔHf, kcal/mol:

-15.77

Dipole, Da:

4.9

IP(EA), eV:

 -8.19(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-5-fluoro-2-N-[4-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-3-methylphenyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CC(C[C@H]2N1CCC2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)N5CC6(C5)COC6)Cl)C

DOS

IR

Vibrations