Geometry & MOs

Info

ID:	327838
PubChem CID:	126691140
Reduced:	BrOC5H9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	1.49
IP(EA), eV:	-10.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methoxy-1-propan-2-yl-3-prop-1-enylbenzene

Drug info:

PubChemData

Smile

CC(/C=C/CBr)O

DOS

IR

Vibrations