Geometry & MOs

Info

ID:	380440
PubChem CID:	134970888
Reduced:	BO4C31H31 (1)
Stoich.:	AB4C31D31 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	1.92
IP(EA), eV:	-9.35(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-methylidene-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)oxan-2-one

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)C

DOS

IR

Vibrations