Geometry & MOs

Info

ID:	444832
PubChem CID:	135263672
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	12.59
Dipole, Da:	7.37
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-2,4-dimethylpentanoic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](O[C@@H]1C(C(=O)C(=C2)C#N)(C)C)C3CC3

DOS

IR

Vibrations