Geometry & MOs

Info

ID:	72925
PubChem CID:	48416690
Reduced:	F2O2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	4.09
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=CC(=C(C=C2)F)F)N3CCNC3=O

DOS

IR

Vibrations