Geometry & MOs

Info

ID:	72570
PubChem CID:	48416316
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	411.207053
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	7.18
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)N4CCNC4=O

DOS

IR

Vibrations