Geometry & MOs

Info

ID:	72875
PubChem CID:	48416639
Reduced:	BrN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	6.61
IP(EA), eV:	-9.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-hydroxy-5-methylbenzoyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2CCNC2=O)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations