Geometry & MOs

Info

ID:	420629
PubChem CID:	135114471
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	6.95
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxybutylamino)-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations