Geometry & MOs

Info

ID:	258693
PubChem CID:	103156430
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	260.137222
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	2.66
IP(EA), eV:	-9.08(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-methoxybutanoyl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OCC(CC2CCCC2)O)NC

DOS

IR

Vibrations