Geometry & MOs

Info

ID:	302873
PubChem CID:	124397935
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	208.05964
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	4.74
IP(EA), eV:	-9.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-ethyl-4-methyl-5-nitro-1,2-oxazole-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC(=O)[C@H]1C(=NOC1=O)C2=CC=CC=C2

DOS

IR

Vibrations