Geometry & MOs

Info

ID:	81729
PubChem CID:	49855061
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	96.01
Dipole, Da:	7.73
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C1C=CC3=C2N=CO3)/C(=C/C4=CN=CC=C4)/C#N

DOS

IR

Vibrations