Geometry & MOs

Info

ID:	59900
PubChem CID:	24902314
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	1.51
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-2-methylphenoxy)methyl]azetidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2CNC2

DOS

IR

Vibrations