Geometry & MOs

Info

ID:	214034
PubChem CID:	81065870
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	-155.58
Dipole, Da:	4.0
IP(EA), eV:	-9.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(octanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CNC(=O)C=N1

DOS

IR

Vibrations