Geometry & MOs

Info

ID:	380834
PubChem CID:	134971403
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	316.030706
ΔH_f, kcal/mol:	-129.29
Dipole, Da:	5.07
IP(EA), eV:	-8.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-nitrophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=C1C(=O)OC)N)OC)OC

DOS

IR

Vibrations