Geometry & MOs

Info

ID:	205649
PubChem CID:	80132190
Reduced:	BrOF2N2H9C14 (1)
Stoich.:	ABC2D2E9F14 (1)
Weight, g/mol:	292.9863
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	4.72
IP(EA), eV:	-8.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3F)Br)F

DOS

IR

Vibrations