Geometry & MOs

Info

ID:	399492
PubChem CID:	135040542
Reduced:	NSC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	154.172151
ΔH_f, kcal/mol:	52.48
Dipole, Da:	1.66
IP(EA), eV:	-8.69(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,2,7-trimethyloct-4-ene

Drug info:

PubChemData

Smile

CC(=C)C[C@H]1C=CN=C([C@@H]1CC=C)SCC=C

DOS

IR

Vibrations