Geometry & MOs

Info

ID:	134306
PubChem CID:	51677133
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-220.91
Dipole, Da:	15.84
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-4-[4-(dimethylamino)benzoyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[NH+](C)[C@H]1[C@H]2C[C@H]3CC4=C(C=CC(=C4C(=O)[C@@H]3C(=O)[C@]2(C(=O)/C(=C(/N)\O)/C1=O)[O-])O)N(C)C

DOS

IR

Vibrations