Geometry & MOs

Info

ID:	212630
PubChem CID:	81061267
Reduced:	BrClON2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	31.15
Dipole, Da:	2.93
IP(EA), eV:	-9.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations