Geometry & MOs

Info

ID:	206839
PubChem CID:	80307396
Reduced:	N2S2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	296.192235
ΔH_f, kcal/mol:	28.01
Dipole, Da:	1.89
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNCC2=NC(=CS2)C(C)(C)C

DOS

IR

Vibrations