Geometry & MOs

Info

ID:	422454
PubChem CID:	135117864
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	335.128134
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	8.16
IP(EA), eV:	-9.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCN2C=NC=N2)O)CC3=NC=CN=C3

DOS

IR

Vibrations