Geometry & MOs

Info

ID:	289264
PubChem CID:	104342233
Reduced:	OSN5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	17.57
Dipole, Da:	2.42
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-4-ethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC2=NC(=NC(=C2)N)COC

DOS

IR

Vibrations