Geometry & MOs

Info

ID:	428552
PubChem CID:	135167666
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	2.41
IP(EA), eV:	-9.51(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pent-2-yne

Drug info:

PubChemData

Smile

CC(C)(C)COCCOCC#CC(C)(C)C

DOS

IR

Vibrations