Geometry & MOs

Info

ID:	72981
PubChem CID:	48416759
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-67.98
Dipole, Da:	2.12
IP(EA), eV:	-9.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)COC2=CC=CC(=C2)C#N)N3CCNC3=O

DOS

IR

Vibrations