Geometry & MOs

Info

ID:	346955
PubChem CID:	127271459
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	351.19582
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	6.36
IP(EA), eV:	-8.84(0.59)
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-propan-2-ylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCC(CC1)C2=NC=CN2)N3CCOCC3

DOS

IR

Vibrations