Geometry & MOs

Info

ID:	155936
PubChem CID:	56368377
Reduced:	BrClO2N3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	374.180584
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	1.97
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC(C2=CC=C(C=C2)Cl)N3CCOCC3)Br

DOS

IR

Vibrations