Geometry & MOs

Info

ID:	213807
PubChem CID:	81065053
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-156.89
Dipole, Da:	5.29
IP(EA), eV:	-9.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CN1C=CC=NC1=O

DOS

IR

Vibrations