Geometry & MOs

Info

ID:	293476
PubChem CID:	117390904
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	255.127072
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	1.02
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-2,5,6-trimethoxyphenyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=CC=C2N3C=CNC3=O)N=C=O

DOS

IR

Vibrations