Geometry & MOs

Info

ID:	356815
PubChem CID:	127292355
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	3.52
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-4-ylmethyl)-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2CCN1C(=O)NCC3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations