Geometry & MOs

Info

ID:	261862
PubChem CID:	103255647
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-128.63
Dipole, Da:	6.81
IP(EA), eV:	-9.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-hydroxycyclobutyl)methylamino]hexanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(COC)C(=O)O

DOS

IR

Vibrations