Geometry & MOs

Info

ID:	294955
PubChem CID:	117509124
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	6.21
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanal

Drug info:

PubChemData

Smile

C1CC(C1)COC2=C(C=C(C=C2)Br)CCCC(=O)O

DOS

IR

Vibrations