Geometry & MOs

Info

ID:	418569
PubChem CID:	135105819
Reduced:	N5O5C19H23 (1)
Stoich.:	A5B5C19D23 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@@H]3CN(C[C@H]3O)C(=O)CCCN4C=C(CO2)N=N4

DOS

IR

Vibrations