Geometry & MOs

Info

ID:	347002
PubChem CID:	127271506
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	11.46
Dipole, Da:	7.45
IP(EA), eV:	-9.38(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CNC(=O)N3CCC(CC3)C4=NC=CN4)C1

DOS

IR

Vibrations