Geometry & MOs

Info

ID:	20653
PubChem CID:	585022
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	6.39
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethylphenoxy)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations