Geometry & MOs

Info

ID:	310458
PubChem CID:	126580527
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	482.28662
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	4.51
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide

Drug info:

PubChemData

Smile

C=C(CCCCCCN1C=NC2=C1N=C(N=C2N3CCOCC3)C4=CC=CC(=C4)CO)NO

DOS

IR

Vibrations