Geometry & MOs

Info

ID:	382502
PubChem CID:	134973707
Reduced:	O5C18H26 (1)
Stoich.:	A5B18C26 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-231.68
Dipole, Da:	2.25
IP(EA), eV:	-10.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-3,4-dihydroxy-3-[1-(methoxymethoxy)ethenyl]-2-methyl-4-(3-methylbutyl)-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations