Geometry & MOs

Info

ID:	232491
PubChem CID:	87576315
Reduced:	AsO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	474.214617
ΔH_f, kcal/mol:	82.03
Dipole, Da:	11.56
IP(EA), eV:	-7.5(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[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

COC1=C2C(=C3NCCN3C(=N2)[As])C=CC1=O

DOS

IR

Vibrations