Geometry & MOs

Info

ID:	245315
PubChem CID:	99443287
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	399.154269
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	3.65
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1,3-benzodioxol-5-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCCOC3=CC=CC=C3F

DOS

IR

Vibrations