Geometry & MOs

Info

ID:	259781
PubChem CID:	103174312
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-6.72
Dipole, Da:	2.24
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(2-ethyl-6-methylpyridin-3-yl)oxybenzonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=C(C=CC(=C2)C)CN

DOS

IR

Vibrations