Geometry & MOs

Info

ID:	393985
PubChem CID:	135022088
Reduced:	NO5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	366.152597
ΔH_f, kcal/mol:	-229.16
Dipole, Da:	6.22
IP(EA), eV:	-9.85(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-6,10-bis(hydroxymethyl)-2,10-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2,3,4,5,7,8,12-heptol

Drug info:

PubChemData

Smile

CC1CC2(CC(C(C(C23C(C1[C@](O3)(C)CO)O)(C)O)O)C)C#N

DOS

IR

Vibrations