Geometry & MOs

Info

ID:	294675
PubChem CID:	117480560
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	298.121652
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	4.74
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Br)O)C2(CCCN2)C

DOS

IR

Vibrations