Geometry & MOs

Info

ID:	327097
PubChem CID:	126688992
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	1.99
IP(EA), eV:	-8.54(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-4-yl 1,2,3,4-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C1CCC=CN1

DOS

IR

Vibrations