Geometry & MOs

Info

ID:	72810
PubChem CID:	48416570
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	401.161853
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	9.02
IP(EA), eV:	-8.58(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)N2CCCC(C2)N3CCNC3=O)Cl

DOS

IR

Vibrations