Geometry & MOs

Info

ID:	176321
PubChem CID:	76033762
Reduced:	BrON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	442.142976
ΔH_f, kcal/mol:	80.5
Dipole, Da:	4.45
IP(EA), eV:	-9.24(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-cyano-2-(2-oxo-1-prop-2-ynylindol-3-ylidene)ethyl]-2'-oxo-1'-prop-2-ynylspiro[cyclopropane-2,3'-indole]-1-carbonitrile

Drug info:

PubChemData

Smile

C#CCN1C2=CC=CC=C2C(=C(CBr)C#N)C1=O

DOS

IR

Vibrations