Geometry & MOs

Info

ID:	123159
PubChem CID:	50835649
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-11.5
Dipole, Da:	5.77
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations