Geometry & MOs

Info

ID:	276122
PubChem CID:	103820733
Reduced:	NO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	274.99572
ΔH_f, kcal/mol:	-155.97
Dipole, Da:	2.69
IP(EA), eV:	-9.95(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCOCC(=O)N[C@@H](C)CO

DOS

IR

Vibrations