Geometry & MOs

Info

ID:	167242
PubChem CID:	74797123
Reduced:	F2O2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-117.72
Dipole, Da:	8.74
IP(EA), eV:	-8.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)pyrazolidin-4-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CCCC1C(C(NN1)C2=CC(=CC=C2)OC)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations