Geometry & MOs

Info

ID:	403629
PubChem CID:	135061076
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	2.65
IP(EA), eV:	-9.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-butoxypent-2-enoxy]methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations