Geometry & MOs

Info

ID:	280487
PubChem CID:	103849549
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	317.00628
ΔH_f, kcal/mol:	-168.42
Dipole, Da:	3.34
IP(EA), eV:	-9.22(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations