Geometry & MOs

Info

ID:	284588
PubChem CID:	104054029
Reduced:	BrClOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	256.054945
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	0.88
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=CSC=C2C)Cl)C)Br

DOS

IR

Vibrations