Geometry & MOs

Info

ID:	19955
PubChem CID:	575768
Reduced:	NSH11C12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	201.061221
ΔH_f, kcal/mol:	67.9
Dipole, Da:	4.5
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-isothiocyanatotricyclo[6.2.1.02,7]undeca-2,4,6-triene

Drug info:

PubChemData

Smile

C1C2CC(C1C3=CC=CC=C23)N=C=S

DOS

IR

Vibrations