Geometry & MOs

Info

ID:	284331
PubChem CID:	104043778
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	1.9
IP(EA), eV:	-8.88(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethyloxan-4-yl)oxy-2-methylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OCCOC2=CC=CC(=C2)CN

DOS

IR

Vibrations