Geometry & MOs

Info

ID:	292925
PubChem CID:	117365281
Reduced:	FNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	5.03
IP(EA), eV:	-8.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-pyrrolidin-1-ylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CNCC(C1=C(C(=C(C=C1)OC)SC)F)O

DOS

IR

Vibrations