Geometry & MOs

Info

ID:	381749
PubChem CID:	134972571
Reduced:	O3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788913
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-5-(hydroxymethyl)-1,2,5-trimethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCC2=C([C@@]1(C)CC(=O)[O-])CCC[C@]2(C)CO

DOS

IR

Vibrations