Geometry & MOs

Info

ID:	142069
PubChem CID:	52975676
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	2.95
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NNC2=O)CC(=O)NCCOC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations