Geometry & MOs

Info

ID:	185505
PubChem CID:	77307307
Reduced:	NO2C6H7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	346.121483
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	5.98
IP(EA), eV:	-9.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1C=CC(=O)C=CNO1

DOS

IR

Vibrations