Geometry & MOs

Info

ID:	168974
PubChem CID:	75047802
Reduced:	NO8C33H35 (1)
Stoich.:	AB8C33D35 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-212.38
Dipole, Da:	0.78
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3-(2-fluoroethoxy)phenyl]pyrazolidin-3-yl]-N-methylaniline

Drug info:

PubChemData

Smile

COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1OC(=O)C6(CC(=O)O6)CC=CCOCC7=CC=CC=C7)OCO5

DOS

IR

Vibrations