Geometry & MOs

Info

ID:	177628
PubChem CID:	76206502
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	1.99
IP(EA), eV:	-9.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenoxypropyl)pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C=CC(=O)NCCOCCO)Cl

DOS

IR

Vibrations