Geometry & MOs

Info

ID:	379421
PubChem CID:	134419397
Reduced:	O5C20H24 (1)
Stoich.:	A5B20C24 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-202.16
Dipole, Da:	2.99
IP(EA), eV:	-9.26(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane-2,6-diol

Drug info:

PubChemData

Smile

CC1=C2C=C(CCOC(C3=C(C=CC(=C3)CCOC2O)CO)O)C=C1

DOS

IR

Vibrations