Geometry & MOs

Info

ID:	284812
PubChem CID:	104072304
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	198.035065
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	3.33
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxetan-3-ylsulfanylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)C#N)N2CCC(CC2)OC

DOS

IR

Vibrations