Geometry & MOs

Info

ID:	262960
PubChem CID:	103331451
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	2.48
IP(EA), eV:	-8.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-(2-ethylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)OC3CCC(CC3)C

DOS

IR

Vibrations