Geometry & MOs

Info

ID:	17973
PubChem CID:	530657
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	1.97
IP(EA), eV:	-9.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyloct-7-en-5-yn-4-yl 2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)OC(CC(C)C)C#CC(=C)C

DOS

IR

Vibrations