Geometry & MOs

Info

ID:	383383
PubChem CID:	134975075
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	122.10955
ΔH_f, kcal/mol:	-184.08
Dipole, Da:	3.78
IP(EA), eV:	-9.36(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyloct-1-en-7-yne

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC=C)[C@@H]1CC[C@@H](O1)C[C@@H](CC(C)C)OCC2=CC=CC=C2

DOS

IR

Vibrations