Geometry & MOs

Info

ID:	225319
PubChem CID:	85756471
Reduced:	NOH3C4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	324.085855
ΔH_f, kcal/mol:	0.73
Dipole, Da:	2.76
IP(EA), eV:	-9.07(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations