Geometry & MOs

Info

ID:	285791
PubChem CID:	104132363
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	4.42
IP(EA), eV:	-9.34(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-cyclohexyloxypyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)N2C(=C(C(=N2)C)Br)C

DOS

IR

Vibrations