Geometry & MOs

Info

ID:	327096
PubChem CID:	126688991
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-106.02
Dipole, Da:	4.18
IP(EA), eV:	-8.49(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptyl 1,2,3,4-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1CC=CN(C1C(=O)O)C(C)C

DOS

IR

Vibrations