Geometry & MOs

Info

ID:	142059
PubChem CID:	52975511
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	2.62
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)F)C(=O)NCCOC3=CC=CC=C3

DOS

IR

Vibrations