Geometry & MOs

Info

ID:	378690
PubChem CID:	134224784
Reduced:	N4C15H29 (2)
Stoich.:	A4B15C29 (2)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	2.2
IP(EA), eV:	-8.22(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S)-2-butan-2-ylcyclopropyl]-2-cyclopentyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCCCN(C1CCN(C(C1)(C)C)C)C2=NC(=NC(=N2)NC)N(CCCC)C3CC(N(C(C3)(C)C)C)(C)C

DOS

IR

Vibrations