Geometry & MOs

Info

ID:	214155
PubChem CID:	81087096
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	241.215413
ΔH_f, kcal/mol:	-25.47
Dipole, Da:	6.87
IP(EA), eV:	-9.45(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)N1CCCC(C1)C2=NN=CN2C)CN

DOS

IR

Vibrations