Geometry & MOs

Info

ID:	171966
PubChem CID:	75447329
Reduced:	NS2O6C17H19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-203.7
Dipole, Da:	5.72
IP(EA), eV:	-9.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-hydroxyphenyl)-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations