Geometry & MOs

Info

ID:	339790
PubChem CID:	127261799
Reduced:	N3O5H9C10 (1)
Stoich.:	A3B5C9D10 (1)
Weight, g/mol:	209.060742
ΔH_f, kcal/mol:	14.58
Dipole, Da:	6.93
IP(EA), eV:	-10.2(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations