Geometry & MOs

Info

ID:	211433
PubChem CID:	80949485
Reduced:	ClON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	3.26
IP(EA), eV:	-10.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-amino-2-propylpyrimidin-4-yl)oxybenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)OCC2CC2

DOS

IR

Vibrations