Geometry & MOs

Info

ID:	395908
PubChem CID:	135026866
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	3.21
IP(EA), eV:	-9.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-butyl-3,3-diethyl-1,2-oxazole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=CC(N(O2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations