Geometry & MOs

Info

ID:	80731
PubChem CID:	49836467
Reduced:	NO2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	373.127385
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	5.35
IP(EA), eV:	-9.92(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-nitrophenyl)-5-(piperidine-1-carbonyl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations