Geometry & MOs

Info

ID:	328830
PubChem CID:	126728327
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-100.68
Dipole, Da:	3.82
IP(EA), eV:	-9.47(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethylpyridin-4-yl)-5-(methylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CCCC/C=C/CCOCC(=O)NCCN

DOS

IR

Vibrations