Geometry & MOs

Info

ID:	130769
PubChem CID:	51104020
Reduced:	FN4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	72.7
Dipole, Da:	2.02
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1CC1(CNCC2=CN3C(=CC=N3)N=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations