Geometry & MOs

Info

ID:	4862
PubChem CID:	12174
Reduced:	O2H6C7 (1)
Stoich.:	A2B6C7 (1)
Weight, g/mol:	122.036779
ΔH_f, kcal/mol:	-21.03
Dipole, Da:	4.01
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)prop-2-enal

Drug info:

PubChemData

Smile

C1=COC(=C1)C=CC=O

DOS

IR

Vibrations