Geometry & MOs

Info

ID:	263331
PubChem CID:	103357886
Reduced:	BrNOC13H24 (1)
Stoich.:	ABCD13E24 (1)
Weight, g/mol:	293.106336
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	4.86
IP(EA), eV:	-8.98(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC2(CCCCC2)CBr)O

DOS

IR

Vibrations