Geometry & MOs

Info

ID:	277655
PubChem CID:	103830125
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-190.12
Dipole, Da:	7.35
IP(EA), eV:	-9.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-hydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations