Geometry & MOs

Info

ID:	322468
PubChem CID:	126670221
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	462.249172
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	9.85
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(2S)-2-aminopropyl]-methylamino]-7-but-2-ynyl-2-hydroxy-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2H-purin-6-one

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CN=C(C=C1)OC2=CC(=C(C=C2)C#N)OCC3CC3)N

DOS

IR

Vibrations