Geometry & MOs

Info

ID:	127665
PubChem CID:	51010503
Reduced:	IN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	10.19
IP(EA), eV:	-9.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,14S)-1,10,14-trimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]([C@@](O1)([C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)I)C)O

DOS

IR

Vibrations