Geometry & MOs

Info

ID:	263280
PubChem CID:	103352073
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	2.84
IP(EA), eV:	-9.09(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C(=O)C2=C(NN=C2C)C

DOS

IR

Vibrations