Geometry & MOs

Info

ID:	211028
PubChem CID:	80885488
Reduced:	SN3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	237.129969
ΔH_f, kcal/mol:	86.53
Dipole, Da:	6.66
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexylsulfanyl-N-ethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC2=NC=CS2)N3CCCC3

DOS

IR

Vibrations