Geometry & MOs

Info

ID:	289313
PubChem CID:	104344907
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	279.115381
ΔH_f, kcal/mol:	13.48
Dipole, Da:	1.17
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(methoxymethyl)-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)SC2=CC=CC=C2

DOS

IR

Vibrations