Geometry & MOs

Info

ID:	230382
PubChem CID:	87570756
Reduced:	NSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	352.128388
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3H-1,2-benzodioxol-3-yl)-4-morpholin-4-ylpteridin-2-amine

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=C(C=C1)N=C=S

DOS

IR

Vibrations