Geometry & MOs

Info

ID:	225327
PubChem CID:	85756479
Reduced:	ClO2H5N6C12 (1)
Stoich.:	AB2C5D6E12 (1)
Weight, g/mol:	347.088161
ΔH_f, kcal/mol:	143.26
Dipole, Da:	9.92
IP(EA), eV:	-9.84(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=C(N=C2Cl)C#N)C#N

DOS

IR

Vibrations