Geometry & MOs

Info

ID:	339780
PubChem CID:	127261789
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	3.86
Dipole, Da:	5.26
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-methyl-3-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=NO1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations