Geometry & MOs

Info

ID:	444300
PubChem CID:	135261991
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	426.237939
ΔH_f, kcal/mol:	-151.91
Dipole, Da:	6.33
IP(EA), eV:	-9.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-3-methylimidazolidin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)CN.Cl

DOS

IR

Vibrations