Geometry & MOs

Info

ID:	274313
PubChem CID:	103808521
Reduced:	BrFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	342.0743
ΔH_f, kcal/mol:	-96.41
Dipole, Da:	4.6
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(CN)C(=O)NC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations