Geometry & MOs

Info

ID:	423110
PubChem CID:	135118956
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	334.132885
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	2.7
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylpyrrolidin-1-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CCC(=O)O

DOS

IR

Vibrations