Geometry & MOs

Info

ID:	262947
PubChem CID:	103330682
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	1.41
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[methyl-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NC3CC(C3(C)C)O

DOS

IR

Vibrations