Geometry & MOs

Info

ID:	392628
PubChem CID:	135017416
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	146.084398
ΔH_f, kcal/mol:	-1.37
Dipole, Da:	5.02
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylidene-2-isocyanoacetonitrile

Drug info:

PubChemData

Smile

CS(=NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C3=CC=CC=C3

DOS

IR

Vibrations