Geometry & MOs

Info

ID:	272963
PubChem CID:	103769054
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	329.04267
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	2.16
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-[1-(oxan-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations