Geometry & MOs

Info

ID:	262961
PubChem CID:	103331458
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	3.15
IP(EA), eV:	-8.4(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1CCCCC1OC2=C3C=C(SC3=NC(=N2)N)CC

DOS

IR

Vibrations