Geometry & MOs

Info

ID:	9311
PubChem CID:	87865
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	3.46
IP(EA), eV:	-8.35(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-4,4,6-trimethylpyrimidine-2-thiol

Drug info:

PubChemData

Smile

CC1=CC(N=C(N1C2CCCCC2)S)(C)C

DOS

IR

Vibrations