Geometry & MOs

Info

ID:	210703
PubChem CID:	80843119
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	284.140389
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	1.78
IP(EA), eV:	-8.83(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC2=NC(=NC(=C2)NC)C)O

DOS

IR

Vibrations