Geometry & MOs

Info

ID:	225334
PubChem CID:	85756486
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	313.061804
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	4.91
IP(EA), eV:	-8.93(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=O)C1=CNO)O)C=O

DOS

IR

Vibrations