Geometry & MOs

Info

ID:	81453
PubChem CID:	49854743
Reduced:	FON3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	33.92
Dipole, Da:	6.45
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(6-methoxy-1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CN=C(C=C3)F)/C#N

DOS

IR

Vibrations