Geometry & MOs

Info

ID:	271565
PubChem CID:	103684148
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-2.37
Dipole, Da:	6.08
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-(2-methylsulfanylcyclohexyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CSC1CCCCC1NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations