Geometry & MOs

Info

ID:	382501
PubChem CID:	134973706
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	3.57
IP(EA), eV:	-9.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C=CO[C@H](C)C1=C(C=C(C=C1C)C)C

DOS

IR

Vibrations