Geometry & MOs

Info

ID:	373103
PubChem CID:	131309983
Reduced:	BrNOF2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	182.012554
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	1.99
IP(EA), eV:	-9.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[C@H](CO)N)Br)F)F

DOS

IR

Vibrations