Geometry & MOs

Info

ID:	287475
PubChem CID:	104243156
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	4.15
IP(EA), eV:	-8.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-N-propyl-2-(1,3-thiazol-5-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2CCCC2)C(C)OCC

DOS

IR

Vibrations