Geometry & MOs

Info

ID:	295160
PubChem CID:	117519045
Reduced:	BrNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	357.02119
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	4.1
IP(EA), eV:	-8.9(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-bromo-7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC12COC3=C(C(=CC(=C3)C(CCC(=O)O)N)Br)OC2

DOS

IR

Vibrations