Geometry & MOs

Info

ID:	81786
PubChem CID:	49855156
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	323.00581
ΔH_f, kcal/mol:	28.23
Dipole, Da:	4.06
IP(EA), eV:	-8.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=C2)NC=C3/C(=C/C4=CN=CC=C4)/C#N

DOS

IR

Vibrations