Geometry & MOs

Info

ID:	259607
PubChem CID:	103169185
Reduced:	BrFNOC16H23 (1)
Stoich.:	ABCDE16F23 (1)
Weight, g/mol:	310.207885
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	1.48
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=CC(=CC(=C2)Br)F)NC

DOS

IR

Vibrations