Geometry & MOs

Info

ID:	411467
PubChem CID:	135084298
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	154.135765
ΔH_f, kcal/mol:	-150.25
Dipole, Da:	5.91
IP(EA), eV:	-10.36(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylbutyl)-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1C2=C(C=CC(=C2)Br)C(=O)O1

DOS

IR

Vibrations