Geometry & MOs

Info

ID:	258759
PubChem CID:	103156814
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	3.51
IP(EA), eV:	-9.25(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCC=CC1)CN

DOS

IR

Vibrations