Geometry & MOs

Info

ID:	375119
PubChem CID:	131472558
Reduced:	ClN2O2F3C8H8 (1)
Stoich.:	AB2C2D3E8F8 (1)
Weight, g/mol:	196.012891
ΔH_f, kcal/mol:	-232.99
Dipole, Da:	2.62
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-thiazol-4-ylmethyl)thiophen-2-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)N)CCl)OC(F)(F)F)CO

DOS

IR

Vibrations