Geometry & MOs

Info

ID:	345315
PubChem CID:	127269564
Reduced:	ClN3O4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	5.64
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2=C(C=CC(=C2)Cl)OCC3CCCO3

DOS

IR

Vibrations