Geometry & MOs

Info

ID:	284788
PubChem CID:	104071529
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-90.31
Dipole, Da:	3.79
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-oxopiperazin-1-yl)methyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(O2)C=O)CO

DOS

IR

Vibrations