Geometry & MOs

Info

ID:	398797
PubChem CID:	135035460
Reduced:	NH3C4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	94.88
Dipole, Da:	3.72
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=C(C2=CC3=CC=CC=C3N21)N)C#N

DOS

IR

Vibrations