Geometry & MOs

Info

ID:	443493
PubChem CID:	135259189
Reduced:	O3N10C38H44 (1)
Stoich.:	A3B10C38D44 (1)
Weight, g/mol:	337.128723
ΔH_f, kcal/mol:	27.05
Dipole, Da:	2.45
IP(EA), eV:	-7.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)N4CCCC5(C4=O)CCN(C5)CC(=O)N6CCN(CC6)C7=CC=C(C=C7)C8=NN(C=N8)C

DOS

IR

Vibrations