Geometry & MOs

Info

ID:	343942
PubChem CID:	127267118
Reduced:	FON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-33.03
Dipole, Da:	2.97
IP(EA), eV:	-9.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrimidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)NCCC2=NC=NN2)F

DOS

IR

Vibrations