Geometry & MOs

Info

ID:	382652
PubChem CID:	134973930
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-222.75
Dipole, Da:	1.24
IP(EA), eV:	-9.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-3-acetyl-3,4-dihydroxy-2-methyl-4-(3-methylbutyl)-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations