Geometry & MOs

Info

ID:	206921
PubChem CID:	80321604
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	40.68
Dipole, Da:	3.5
IP(EA), eV:	-9.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(CC1=NC=CS1)C#N

DOS

IR

Vibrations