Geometry & MOs

Info

ID:	56308
PubChem CID:	17425052
Reduced:	F2O2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	423.06161
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	4.95
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations