Geometry & MOs

Info

ID:	74035
PubChem CID:	48421378
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-105.09
Dipole, Da:	5.48
IP(EA), eV:	-8.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-1-ethyl-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=CC(=C(C=C1)C)Cl

DOS

IR

Vibrations