Geometry & MOs

Info

ID:	417665
PubChem CID:	135102405
Reduced:	ClON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	3.74
IP(EA), eV:	-8.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethyl)piperazin-1-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)Cl)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations