Geometry & MOs

Info

ID:	180780
PubChem CID:	76684373
Reduced:	N4O5C23H32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-199.29
Dipole, Da:	7.18
IP(EA), eV:	-9.8(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylpyridin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)OC(=O)[C@H](CCC(=O)O)N)N

DOS

IR

Vibrations