Geometry & MOs

Info

ID:	213654
PubChem CID:	81064500
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-147.44
Dipole, Da:	3.47
IP(EA), eV:	-9.31(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(furan-3-carbonylamino)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CC=C1OCC=C

DOS

IR

Vibrations