Geometry & MOs

Info

ID:	360311
PubChem CID:	127300954
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	373.18017
ΔH_f, kcal/mol:	-50.09
Dipole, Da:	4.5
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations