Geometry & MOs

Info

ID:	125299
PubChem CID:	50918865
Reduced:	O5C19H22 (1)
Stoich.:	A5B19C22 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	6.02
IP(EA), eV:	-10.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,13S)-1,13-dimethyl-10-[(3-methylfuran-2-yl)methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

C[C@]12[C@@H](C=C[C@]3([C@H]1[C@H]([C@@]45[C@@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O

DOS

IR

Vibrations