Geometry & MOs

Info

ID:	346960
PubChem CID:	127271464
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	337.18017
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	1.67
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations