Geometry & MOs

Info

ID:	289278
PubChem CID:	104343600
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	16.35
Dipole, Da:	2.53
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-(3-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NN1C2=NC(=NC(=C2)N)COC)CC

DOS

IR

Vibrations