Geometry & MOs

Info

ID:	232488
PubChem CID:	87576308
Reduced:	O5C13H24 (1)
Stoich.:	A5B13C24 (1)
Weight, g/mol:	474.214617
ΔH_f, kcal/mol:	-159.77
Dipole, Da:	8.8
IP(EA), eV:	-10.41(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2-amino-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCC.C=CC(=O)O.C1C(O1)COCC2CO2

DOS

IR

Vibrations