Geometry & MOs

Info

ID:	354329
PubChem CID:	127286455
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	395.197569
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	5.43
IP(EA), eV:	-8.54(-0.16)
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-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations