Geometry & MOs

Info

ID:	232713
PubChem CID:	87576791
Reduced:	OSeC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	388.177837
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	1.95
IP(EA), eV:	-8.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4,5,6-trimethylpyridin-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC2=C(C=C1)C=C[Se]2

DOS

IR

Vibrations