Geometry & MOs

Info

ID:	213402
PubChem CID:	81063611
Reduced:	NCl2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	2.83
IP(EA), eV:	-9.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations