Geometry & MOs

Info

ID:	202632
PubChem CID:	79701963
Reduced:	BrFSH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	4.0
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)SCC3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations