Geometry & MOs

Info

ID:	448280
PubChem CID:	135289850
Reduced:	BrF2O4C9H15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-277.2
Dipole, Da:	3.32
IP(EA), eV:	-9.95(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COCCOC)OC(=O)C(F)(F)Br

DOS

IR

Vibrations