Geometry & MOs

Info

ID:	183649
PubChem CID:	77048179
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-35.54
Dipole, Da:	7.38
IP(EA), eV:	-8.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(NC(=C(N)N=O)C1)N2CCCC2CO

DOS

IR

Vibrations