Geometry & MOs

Info

ID:	274573
PubChem CID:	103810247
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	1.49
IP(EA), eV:	-9.18(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations