Geometry & MOs

Info

ID:	443436
PubChem CID:	135259013
Reduced:	BrN2O2F3C15H22 (1)
Stoich.:	AB2C2D3E15F22 (1)
Weight, g/mol:	401.141179
ΔH_f, kcal/mol:	-264.48
Dipole, Da:	3.29
IP(EA), eV:	-9.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4',4'-difluoro-8-methyl-6-(7H-purin-6-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CCCC(CCC(F)(F)F)NC(=O)/C(=C(\C)/C=C(\C)/Br)/NC=O

DOS

IR

Vibrations