Geometry & MOs

Info

ID:	442347
PubChem CID:	135251489
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	221.980775
ΔH_f, kcal/mol:	35.44
Dipole, Da:	4.35
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-isocyanato-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CNC1=CC2=C(N=C1C3CC3)N=C(S2)N4CCOCC4

DOS

IR

Vibrations