Geometry & MOs

Info

ID:	258632
PubChem CID:	103155809
Reduced:	N3O3C8H13 (1)
Stoich.:	A3B3C8D13 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	2.49
IP(EA), eV:	-9.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=NOC=C1)CN

DOS

IR

Vibrations