Geometry & MOs

Info

ID:	400118
PubChem CID:	135045614
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	257.062283
ΔH_f, kcal/mol:	18.44
Dipole, Da:	2.39
IP(EA), eV:	-8.18(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyano-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate

Drug info:

PubChemData

Smile

CCC[C@H](C=C)[C@@H]1CC2=CC=CC=C2N1

DOS

IR

Vibrations