Geometry & MOs

Info

ID:	319660
PubChem CID:	126656948
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	207.083019
ΔH_f, kcal/mol:	3.73
Dipole, Da:	3.69
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(OC=C1)CCC2=C(C=CS2)CCC3=NOC=C3C

DOS

IR

Vibrations