Geometry & MOs

Info

ID:	345475
PubChem CID:	127269775
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	5.74
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)NC2CCCNC2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations