Geometry & MOs

Info

ID:	287838
PubChem CID:	104296285
Reduced:	BrNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	297.00006
ΔH_f, kcal/mol:	-159.85
Dipole, Da:	3.48
IP(EA), eV:	-9.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylbenzoyl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCC(CC2)OCC(=O)O)Br

DOS

IR

Vibrations