Geometry & MOs

Info

ID:	85801
PubChem CID:	49879340
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	4.78
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(cyclopropylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)N=C(C1=O)C3=CC=C(C=C3)C(=O)NCCCOC

DOS

IR

Vibrations