Geometry & MOs

Info

ID:	205650
PubChem CID:	80132191
Reduced:	BrNF2O2C10H10 (1)
Stoich.:	ABC2D2E10F10 (1)
Weight, g/mol:	304.9863
ΔH_f, kcal/mol:	-160.15
Dipole, Da:	2.25
IP(EA), eV:	-10.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,6-difluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)C1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations