Geometry & MOs

Info

ID:	215995
PubChem CID:	85085553
Reduced:	OSN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	21.65
Dipole, Da:	5.24
IP(EA), eV:	-8.32(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) thiocyanate

Drug info:

PubChemData

Smile

CC=CC1=C(N=C(N1C)SC)N=C=O

DOS

IR

Vibrations