Geometry & MOs

Info

ID:	30863
PubChem CID:	842037
Reduced:	NO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	239.05509
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.156984
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexylamino)-1,3-thiazol-5-yl] thiocyanate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C

DOS

IR

Vibrations