Geometry & MOs

Info

ID:	72972
PubChem CID:	48416749
Reduced:	O2F3N3C16H24 (1)
Stoich.:	A2B3C3D16E24 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-278.16
Dipole, Da:	9.26
IP(EA), eV:	-9.45(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations