Geometry & MOs

Info

ID:	213644
PubChem CID:	81064478
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-193.58
Dipole, Da:	4.2
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C2C(=CC=C1)OCCO2

DOS

IR

Vibrations