Geometry & MOs

Info

ID:	415579
PubChem CID:	135088575
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	365.138699
ΔH_f, kcal/mol:	-94.32
Dipole, Da:	6.09
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-aminoethyl)morpholin-4-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C)CCC(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations