Geometry & MOs

Info

ID:	258761
PubChem CID:	103156831
Reduced:	O2N3C13H27 (1)
Stoich.:	A2B3C13D27 (1)
Weight, g/mol:	260.137222
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	2.16
IP(EA), eV:	-8.7(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-amino-3-methoxybutanoyl)-3-methylazetidin-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)CC(CN)OC

DOS

IR

Vibrations