Geometry & MOs

Info

ID:	330143
PubChem CID:	127247130
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	40.36
Dipole, Da:	1.33
IP(EA), eV:	-9.16(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations