Geometry & MOs

Info

ID:	321471
PubChem CID:	126666102
Reduced:	ClN3O4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	2.56
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-oxazol-2-yl)-3-(2-phenylethyl)urea;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)N2C(=O)C3=C(C(=N2)C4=C(C=CC(=C4)OC)OC)ON=C3C5CC5

DOS

IR

Vibrations