Geometry & MOs

Info

ID:	212515
PubChem CID:	81060776
Reduced:	IN4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	115.07
Dipole, Da:	5.45
IP(EA), eV:	-9.58(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2C=C(C=N2)I

DOS

IR

Vibrations