Geometry & MOs

Info

ID:	197943
PubChem CID:	79018835
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	6.86
Dipole, Da:	8.78
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)pentanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=C(C=C(C=C2)C#N)Br

DOS

IR

Vibrations