Geometry & MOs

Info

ID:	287742
PubChem CID:	104293587
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	276.074621
ΔH_f, kcal/mol:	25.54
Dipole, Da:	3.86
IP(EA), eV:	-8.28(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C2=NC(=C(N2)C)C

DOS

IR

Vibrations