Geometry & MOs

Info

ID:	420597
PubChem CID:	135114194
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	365.207642
ΔH_f, kcal/mol:	28.1
Dipole, Da:	3.51
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2-amino-7H-purin-6-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C3=NN=C4N3C=CC=C4)OCC1

DOS

IR

Vibrations