Geometry & MOs

Info

ID:	122181
PubChem CID:	50797088
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-198.35
Dipole, Da:	9.76
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC(=O)C)OC)OC1=O

DOS

IR

Vibrations