Geometry & MOs

Info

ID:	81726
PubChem CID:	49855057
Reduced:	ON3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	299.105862
ΔH_f, kcal/mol:	74.86
Dipole, Da:	5.3
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-2-cyano-2-(5-methoxy-1H-indol-3-yl)ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)O

DOS

IR

Vibrations