Geometry & MOs

Info

ID:	411471
PubChem CID:	135084302
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	3.65
IP(EA), eV:	-9.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-2-methylbutyl)benzene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1/C=C/CCO

DOS

IR

Vibrations