Geometry & MOs

Info

ID:	412712
PubChem CID:	135085626
Reduced:	BrOZnH7C9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	99.97
Dipole, Da:	4.56
IP(EA), eV:	-9.58(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2R,3S)-3-methyloxiran-2-yl]pent-1-en-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#[C-].[Zn+]Br

DOS

IR

Vibrations