Geometry & MOs

Info

ID:	287464
PubChem CID:	104242798
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	291.176919
ΔH_f, kcal/mol:	12.62
Dipole, Da:	2.55
IP(EA), eV:	-8.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylsulfanylmethyl)-6-cyclopentylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CC2=NC(=CC(=N2)N)C3CCCC3)C

DOS

IR

Vibrations