Geometry & MOs

Info

ID:	200894
PubChem CID:	79459726
Reduced:	BrClNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	352.99822
ΔH_f, kcal/mol:	14.48
Dipole, Da:	4.31
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2(CNC2)C3=CC(=CC=C3)Cl)Br

DOS

IR

Vibrations