Geometry & MOs

Info

ID:	171735
PubChem CID:	75419344
Reduced:	BrNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	376.117626
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	3.39
IP(EA), eV:	-9.7(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1,3-thiazole;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)Br)C(=O)OCCC#C

DOS

IR

Vibrations