Geometry & MOs

Info

ID:	225332
PubChem CID:	85756484
Reduced:	ClN4H15C21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	371.126991
ΔH_f, kcal/mol:	183.91
Dipole, Da:	2.24
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-oxazol-5-yl)phenyl]-3-(4-phenoxyphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCN(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)N=[N+]=[N-]

DOS

IR

Vibrations