Geometry & MOs

Info

ID:	423510
PubChem CID:	135119638
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	12.89
Dipole, Da:	6.75
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NC3CCN(CC3)CCC4=CC=CC=C4

DOS

IR

Vibrations