Geometry & MOs

Info

ID:	216324
PubChem CID:	85086049
Reduced:	FO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-174.84
Dipole, Da:	4.55
IP(EA), eV:	-9.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,8-dihydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C(C(C1F)OCC2=CC=CC=C2)O)O

DOS

IR

Vibrations