Geometry & MOs

Info

ID:	199797
PubChem CID:	79297271
Reduced:	FSN4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	295.065844
ΔH_f, kcal/mol:	42.57
Dipole, Da:	5.76
IP(EA), eV:	-8.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(chloromethyl)-1,3-dimethylimidazo[4,5-c]pyrazol-6-yl]methyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)N2C3=C(C(=NN3C)C)NC2=S

DOS

IR

Vibrations