Geometry & MOs

Info

ID:	356852
PubChem CID:	127292444
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.69
IP(EA), eV:	-9.2(0.6)
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-prop-2-enylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCCCC2C3=NC=CN3

DOS

IR

Vibrations