Geometry & MOs

Info

ID:	381718
PubChem CID:	134972531
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-157.19
Dipole, Da:	4.21
IP(EA), eV:	-10.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-methoxy-3-methylhept-2-en-4-one

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@@H]([C@@H](OC1=O)C)C(=O)C

DOS

IR

Vibrations