Geometry & MOs

Info

ID:	208732
PubChem CID:	80572390
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	301.038434
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	5.97
IP(EA), eV:	-8.3(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COCC1CCN(CC1)C(=O)CC2CNC3=CC=CC=C23

DOS

IR

Vibrations