Geometry & MOs

Info

ID:	81788
PubChem CID:	49855158
Reduced:	N4H10C15 (1)
Stoich.:	A4B10C15 (1)
Weight, g/mol:	260.106196
ΔH_f, kcal/mol:	131.22
Dipole, Da:	3.98
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C(\C#N)/C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations