Geometry & MOs

Info

ID:	210960
PubChem CID:	80877033
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	3.81
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-amino-2,5-dimethylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)SC)OC2CCCC(C2)OC

DOS

IR

Vibrations