Geometry & MOs

Info

ID:	72797
PubChem CID:	48416555
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-137.04
Dipole, Da:	5.34
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations