Geometry & MOs

Info

ID:	426796
PubChem CID:	135153900
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	5.3
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N(CC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations