Geometry & MOs

Info

ID:	262985
PubChem CID:	103332573
Reduced:	SN5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	47.51
Dipole, Da:	6.12
IP(EA), eV:	-8.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCN(CC1)C2=C3C=C(SC3=NC(=N2)NN)C

DOS

IR

Vibrations