Geometry & MOs

Info

ID:	289121
PubChem CID:	104336764
Reduced:	ClO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	311.17644
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	4.54
IP(EA), eV:	-9.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NC(C)CCCO

DOS

IR

Vibrations