Geometry & MOs

Info

ID:	382654
PubChem CID:	134973932
Reduced:	O3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-247.87
Dipole, Da:	2.14
IP(EA), eV:	-10.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,3R)-1,2-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-3H-naphthalen-2-yl]-2-oxoacetaldehyde

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C2=CC=CC=C2[C@@]3([C@]1(C(C(=O)O3)(O)O)O)CCC(C)C

DOS

IR

Vibrations