Geometry & MOs

Info

ID:	427010
PubChem CID:	135155012
Reduced:	ClN3O4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	5.9
IP(EA), eV:	-10.22(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations