Geometry & MOs

Info

ID:	258667
PubChem CID:	103156171
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-181.16
Dipole, Da:	3.04
IP(EA), eV:	-9.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-methoxybutanoyl)amino]cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OCC(CC2CCCC2)O

DOS

IR

Vibrations