Geometry & MOs

Info

ID:	282238
PubChem CID:	103919707
Reduced:	NO2F3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-290.23
Dipole, Da:	2.83
IP(EA), eV:	-10.07(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1CCCCC1C(F)(F)F

DOS

IR

Vibrations