Geometry & MOs

Info

ID:	269467
PubChem CID:	103617611
Reduced:	BrFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-123.98
Dipole, Da:	1.85
IP(EA), eV:	-9.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations