Geometry & MOs

Info

ID:	144686
PubChem CID:	53399618
Reduced:	BrNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	4.3
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(4-methyl-2-nitrophenyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=CC3=C2C(=CN3)Br)C(=O)O

DOS

IR

Vibrations