Geometry & MOs

Info

ID:	306207
PubChem CID:	125002698
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	3.44
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(C=CC(=C2)N3CCCCC3)OC)C4=CC=CC=N4

DOS

IR

Vibrations