Geometry & MOs

Info

ID:

232145

PubChem CID:

87575598

Reduced:

ON3C33H45 (1)

Stoich.:

AB3C33D45 (1)

Weight, g/mol:

446.183316

ΔHf, kcal/mol:

-18.22

Dipole, Da:

1.4

IP(EA), eV:

 -8.65(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=C1)[C@]3(CCC2)CN(C[C@H]3C=O)N4CC[C@H](C[C@H]4C5CCCCC5)C6=CC=CC=C6

DOS

IR

Vibrations