Geometry & MOs

Info

ID:	395904
PubChem CID:	135026862
Reduced:	O4N8H14C21 (1)
Stoich.:	A4B8C14D21 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	108.93
Dipole, Da:	9.99
IP(EA), eV:	-9.23(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-butyl-3-(4-methylphenyl)-3H-1,2-oxazole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3=C(C(C4=C(N23)N=C(C(=C4N)C#N)N)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations