Geometry & MOs

Info

ID:	206925
PubChem CID:	80321608
Reduced:	SN2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	19.42
Dipole, Da:	2.73
IP(EA), eV:	-9.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)(CC2=NC=CS2)C#N

DOS

IR

Vibrations