Geometry & MOs

Info

ID:	283255
PubChem CID:	103968152
Reduced:	ClON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	295.181526
ΔH_f, kcal/mol:	-47.22
Dipole, Da:	5.45
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,5-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC2=C(C(=NC=N2)Cl)OC)C

DOS

IR

Vibrations