Geometry & MOs

Info

ID:	171832
PubChem CID:	75432182
Reduced:	BrOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	340.196234
ΔH_f, kcal/mol:	8.03
Dipole, Da:	3.44
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-2-(dimethylamino)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)NC(=O)CC2=CSC(=N2)C)Br

DOS

IR

Vibrations