Geometry & MOs

Info

ID:	282353
PubChem CID:	103923102
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	1.85
IP(EA), eV:	-9.11(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(3-ethyl-2-hydroxypentyl)amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)C(CNCC1CCCOC1)O

DOS

IR

Vibrations