Geometry & MOs

Info

ID:	81541
PubChem CID:	49854843
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	351.137162
ΔH_f, kcal/mol:	91.18
Dipole, Da:	6.03
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-phenylmethoxy-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=CN=C3)/C#N

DOS

IR

Vibrations