Geometry & MOs

Info

ID:	52360
PubChem CID:	12015201
Reduced:	NO6C11H15 (1)
Stoich.:	AB6C11D15 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-257.53
Dipole, Da:	3.13
IP(EA), eV:	-11.17(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-pentyl-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@H](CC#N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations