Geometry & MOs

Info

ID:	226482
PubChem CID:	87457470
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	44.5
Dipole, Da:	8.79
IP(EA), eV:	-9.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-ethyl-1H-imidazol-3-ium;thiocyanate

Drug info:

PubChemData

Smile

CCCCSC#N.CCN1C=CN=C1

DOS

IR

Vibrations