Geometry & MOs

Info

ID:	198338
PubChem CID:	79089618
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	3.29
IP(EA), eV:	-8.87(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(5-oxo-1,4-diazepan-1-yl)ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=N)C1CN2CCCC2CO1

DOS

IR

Vibrations