Geometry & MOs

Info

ID:	347019
PubChem CID:	127271523
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	379.22712
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations