Geometry & MOs

Info

ID:	357737
PubChem CID:	127294411
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	5.85
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations