Geometry & MOs

Info

ID:	277637
PubChem CID:	103830029
Reduced:	FNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-135.08
Dipole, Da:	4.83
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-hydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)O)C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations