Geometry & MOs

Info

ID:	285562
PubChem CID:	104113447
Reduced:	NO2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	7.18
IP(EA), eV:	-9.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(3-methylbutyl)amino]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=COC=C1)C2=NC(=CO2)C(=O)O

DOS

IR

Vibrations