Geometry & MOs

Info

ID:	422867
PubChem CID:	135118538
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-201.8
Dipole, Da:	9.69
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations