Geometry & MOs

Info

ID:	396940
PubChem CID:	135029487
Reduced:	NPO4C26H38 (1)
Stoich.:	ABC4D26E38 (1)
Weight, g/mol:	262.074228
ΔH_f, kcal/mol:	-208.8
Dipole, Da:	13.26
IP(EA), eV:	-7.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-2,3-dioxoindol-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCCP(=C/C(=C/1\C2=CC=CC=C2N(C1=O)C(=O)C)/C(=O)OC)(CCCC)CCCC

DOS

IR

Vibrations