Geometry & MOs

Info

ID:	26748
PubChem CID:	798022
Reduced:	SN4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	233.095297
ΔH_f, kcal/mol:	25.97
Dipole, Da:	6.84
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-prop-2-enylindol-3-yl)methylidene]propanedinitrile

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)NNC(=S)NN2

DOS

IR

Vibrations