Geometry & MOs

Info

ID:	137517
PubChem CID:	52218938
Reduced:	FO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-10.8
Dipole, Da:	3.88
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethylurea

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)[C@@H](C)NC(=O)CCC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations