Geometry & MOs

Info

ID:	176320
PubChem CID:	76033761
Reduced:	BrNO2H26C31 (1)
Stoich.:	ABC2D26E31 (1)
Weight, g/mol:	299.98983
ΔH_f, kcal/mol:	41.23
Dipole, Da:	3.08
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(2-oxo-1-prop-2-ynylindol-3-ylidene)propanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CC=C)(C4=CC=CC5=CC=CC=C54)O

DOS

IR

Vibrations