Geometry & MOs

Info

ID:	262867
PubChem CID:	103324437
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	5.44
IP(EA), eV:	-8.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NC)NCC3CCCO3

DOS

IR

Vibrations