Geometry & MOs

Info

ID:	402768
PubChem CID:	135057190
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	6.76
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-but-3-en-2-ylfuran-2-yl)pentanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=O)O[C@@H](C1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations