Geometry & MOs

Info

ID:	28271
PubChem CID:	826666
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	210.054161
ΔH_f, kcal/mol:	15.49
Dipole, Da:	1.75
IP(EA), eV:	-8.47(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(5-amino-4-cyanofuran-2-yl)prop-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

CN(C)CCCN1CC2=CC=CC3=C2[C@@H]1CCC3

DOS

IR

Vibrations