Geometry & MOs

Info

ID:	271571
PubChem CID:	103684198
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	7.52
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2CCCCC2SC)[N+](=O)[O-]

DOS

IR

Vibrations