Geometry & MOs

Info

ID:	287842
PubChem CID:	104296324
Reduced:	BrNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	341.02627
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	6.67
IP(EA), eV:	-10.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2COCC2C(=O)O)Br

DOS

IR

Vibrations