Geometry & MOs

Info

ID:	22554
PubChem CID:	597716
Reduced:	SN4C6H8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	168.046967
ΔH_f, kcal/mol:	69.28
Dipole, Da:	4.53
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1SC#N)N)C

DOS

IR

Vibrations