Geometry & MOs

Info

ID:	197947
PubChem CID:	79019749
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	1.13
IP(EA), eV:	-8.87(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2CCNCC2)O

DOS

IR

Vibrations