Geometry & MOs

Info

ID:	393984
PubChem CID:	135022087
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	325.188923
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	7.37
IP(EA), eV:	-10.38(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-2,3,12-trihydroxy-10-(hydroxymethyl)-2,4,8,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1C2C(CC3(CC(C(C=C3C2OC1=O)O)C)C#N)C

DOS

IR

Vibrations