Geometry & MOs

Info

ID:	204141
PubChem CID:	79919022
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	3.33
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-aminopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

C1CCC(CC1)(CO)NC2=NC=NC=C2N

DOS

IR

Vibrations