Geometry & MOs

Info

ID:	221513
PubChem CID:	85273802
Reduced:	NO3C7H10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-228.22
Dipole, Da:	3.96
IP(EA), eV:	-10.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitrophenyl)-5-(1-phenoxyethyl)-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C

DOS

IR

Vibrations