Geometry & MOs

Info

ID:	361926
PubChem CID:	127304922
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	-107.16
Dipole, Da:	1.88
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CNC3=C2C=CC(=C3)F)C(=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations