Geometry & MOs

Info

ID:	72573
PubChem CID:	48416319
Reduced:	FO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	5.15
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(NN=C2)C3=CC=C(C=C3)F)N4CCNC4=O

DOS

IR

Vibrations