Geometry & MOs

Info

ID:	48026
PubChem CID:	10536667
Reduced:	O2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-272.69
Dipole, Da:	5.2
IP(EA), eV:	-10.97(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-hydroxy-5-methyl-3-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]2CC(=O)O[C@H]2C(O1)O

DOS

IR

Vibrations