Geometry & MOs

Info

ID:	24414
PubChem CID:	609994
Reduced:	FON3H14C20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	331.11209
ΔH_f, kcal/mol:	60.89
Dipole, Da:	7.47
IP(EA), eV:	-8.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CCOC3=CC=CC=C3F)C=C(C#N)C#N

DOS

IR

Vibrations