Geometry & MOs

Info

ID:	48857
PubChem CID:	11528405
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.34
IP(EA), eV:	-9.75(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,7S)-7-methyldec-3-en-9-yn-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@H]2C[C@@H]([C@H]1C=O)C=C2

DOS

IR

Vibrations