Geometry & MOs

Info

ID:	155219
PubChem CID:	56322749
Reduced:	BrClF2N2O3H16C17 (1)
Stoich.:	ABC2D2E3F16G17 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	6.37
IP(EA), eV:	-9.13(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(C)C(=O)C2=C(N=CC(=C2)Br)Cl)OC(F)F

DOS

IR

Vibrations