Geometry & MOs

Info

ID:	443478
PubChem CID:	135259163
Reduced:	O3N8C23H30 (1)
Stoich.:	A3B8C23D30 (1)
Weight, g/mol:	450.212787
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	8.27
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetamide

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)NC2(N1C)CCCCC2)/C=C(\C=O)/NC3=C4C(=NC=N3)N(C=N4)CC(=O)N(C)C

DOS

IR

Vibrations