Geometry & MOs

Info

ID:	211377
PubChem CID:	80941762
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	3.18
IP(EA), eV:	-8.98(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)OCC2CCOCC2)NCC

DOS

IR

Vibrations