Geometry & MOs

Info

ID:	145706
PubChem CID:	53578468
Reduced:	FN5C20H20 (1)
Stoich.:	AB5C20D20 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	66.8
Dipole, Da:	3.86
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(naphthalen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(N=C2CN3CCC4=CN=CN=C4C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations