Geometry & MOs

Info

ID:	187371
PubChem CID:	77566308
Reduced:	F2N3O3C28H31 (1)
Stoich.:	A2B3C3D28E31 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	2.88
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(5-phenylpyrazolidin-3-yl)pentanamide

Drug info:

PubChemData

Smile

C1CC1C(CN(C2CCNCC2)C(=O)O)C(=O)N3CC(=CC3C4=CC=CC=C4)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations