Geometry & MOs

Info

ID:	167345
PubChem CID:	74812365
Reduced:	ON3C24H34 (1)
Stoich.:	AB3C24D34 (1)
Weight, g/mol:	334.21689
ΔH_f, kcal/mol:	27.98
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754078
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2(CCC[NH+](C2)CC3CNNC3C4=CC=CC=C4)CO

DOS

IR

Vibrations