Geometry & MOs

Info

ID:	374525
PubChem CID:	131330895
Reduced:	BrOSN2H3C6 (1)
Stoich.:	ABCD2E3F6 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	35.59
Dipole, Da:	5.14
IP(EA), eV:	-10.42(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-ethyl-5-methylhex-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=N1)Br)C#N

DOS

IR

Vibrations