Geometry & MOs

Info

ID:	419100
PubChem CID:	135107514
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	4.43
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCC2=CNC3=CC=CC=C32)O)CC4=NC=CN=C4

DOS

IR

Vibrations