Geometry & MOs

Info

ID:	342325
PubChem CID:	127265106
Reduced:	ClFON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	3.82
IP(EA), eV:	-9.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)N2CCCCC2CN.Cl

DOS

IR

Vibrations