Geometry & MOs

Info

ID:	346957
PubChem CID:	127271461
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	323.16452
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	5.06
IP(EA), eV:	-8.62(0.58)
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-methylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC=CN3

DOS

IR

Vibrations