Geometry & MOs

Info

ID:	380458
PubChem CID:	134970909
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-206.48
Dipole, Da:	6.36
IP(EA), eV:	-9.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-2-methylidene-5-oxohexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO[C@@H]3C=COC([C@@H]3O)CO

DOS

IR

Vibrations