Geometry & MOs

Info

ID:	407882
PubChem CID:	135080637
Reduced:	N3O5C6H11 (1)
Stoich.:	A3B5C6D11 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-154.4
Dipole, Da:	1.5
IP(EA), eV:	-10.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C(C1[C@H](C(C([C@@H](O1)O)N=[N+]=[N-])O)O)O

DOS

IR

Vibrations