Geometry & MOs

Info

ID:	81787
PubChem CID:	49855157
Reduced:	BrN3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	246.090546
ΔH_f, kcal/mol:	122.68
Dipole, Da:	6.96
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-pyridin-3-yl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations