Geometry & MOs

Info

ID:	206934
PubChem CID:	80321686
Reduced:	SN2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	29.93
Dipole, Da:	0.78
IP(EA), eV:	-9.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)(CC2=NC=CS2)N

DOS

IR

Vibrations