Geometry & MOs

Info

ID:	178204
PubChem CID:	76294308
Reduced:	FN4O5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	466.274405
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	8.8
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(4-fluorophenyl)pyrazolidin-3-yl]pentyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CN(CCCCCC1CC(NN1)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

DOS

IR

Vibrations