Geometry & MOs

Info

ID:	289116
PubChem CID:	104336548
Reduced:	ClN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	296.104003
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	2.94
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)CCCNC1=CC(=NC(=N1)COC)Cl

DOS

IR

Vibrations