Geometry & MOs

Info

ID:	344101
PubChem CID:	127267277
Reduced:	ClN3O5C13H16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-196.05
Dipole, Da:	4.55
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(1-hydroxy-2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)NCC(=O)NCC(=O)OC

DOS

IR

Vibrations