Geometry & MOs

Info

ID:	295129
PubChem CID:	117518249
Reduced:	BrO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	352.03102
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	4.89
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=C3CCOC3=C(C4=C2OCC4)Br

DOS

IR

Vibrations