Geometry & MOs

Info

ID:	199351
PubChem CID:	79232667
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	6.32
IP(EA), eV:	-8.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CCCC2NC3CCC(=O)NC3=O)C=C1

DOS

IR

Vibrations