Geometry & MOs

Info

ID:	278013
PubChem CID:	103832707
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	19.05
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(3-methoxypiperidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=NC(=NO1)C2=CC3=CC=CC=C3O2)N

DOS

IR

Vibrations