Geometry & MOs

Info

ID:	213877
PubChem CID:	81065508
Reduced:	NF3O3C10H16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-326.43
Dipole, Da:	4.93
IP(EA), eV:	-10.17(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethoxypropanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCC(F)(F)F

DOS

IR

Vibrations