Geometry & MOs

Info

ID:	287841
PubChem CID:	104296315
Reduced:	BrNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-145.33
Dipole, Da:	5.74
IP(EA), eV:	-9.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2C(=O)O)Br

DOS

IR

Vibrations