Geometry & MOs

Info

ID:	294915
PubChem CID:	117505110
Reduced:	BrOF2N2C12H15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	2.42
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-methoxy-3-(oxan-3-yloxy)phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CCC2=C(C=C(C(=C2F)Br)O)F

DOS

IR

Vibrations