Geometry & MOs

Info

ID:	342320
PubChem CID:	127265097
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	326.156119
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	7.79
IP(EA), eV:	-9.29(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations