Geometry & MOs

Info

ID:	183348
PubChem CID:	77011404
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.51
IP(EA), eV:	-8.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC=CCOC1=C(C=C(C=C1)C)CO

DOS

IR

Vibrations