Geometry & MOs

Info

ID:	184012
PubChem CID:	77101686
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	1.62
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCOC1=CC=CC=C1CC=C)C(=O)OC

DOS

IR

Vibrations