Geometry & MOs

Info

ID:	198000
PubChem CID:	79028952
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	5.82
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)COC2=CC=CC=C2F)CO

DOS

IR

Vibrations