Geometry & MOs

Info

ID:	265532
PubChem CID:	103528778
Reduced:	NO3F4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-309.23
Dipole, Da:	3.26
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCC(C(F)F)(F)F)O)O

DOS

IR

Vibrations