Geometry & MOs

Info

ID:	4816
PubChem CID:	12086
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	6.15
IP(EA), eV:	-10.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations