Geometry & MOs

Info

ID:	280469
PubChem CID:	103849428
Reduced:	BrFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-156.37
Dipole, Da:	3.55
IP(EA), eV:	-9.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CC(=CC(=C2)Br)F)O

DOS

IR

Vibrations