Geometry & MOs

Info

ID:	59899
PubChem CID:	24902312
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	2.27
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenoxy)azetidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2CCCNC2

DOS

IR

Vibrations