Geometry & MOs

Info

ID:	124159
PubChem CID:	50873684
Reduced:	NSC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	198.001847
ΔH_f, kcal/mol:	25.39
Dipole, Da:	4.22
IP(EA), eV:	-8.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-chloro-5-methylphenyl) thiocyanate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SSC2=CC=CC(=C2N)C)N

DOS

IR

Vibrations