Geometry & MOs

Info

ID:	200907
PubChem CID:	79460459
Reduced:	BrFNOH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	333.05284
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	5.62
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)azetidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)Br

DOS

IR

Vibrations