Geometry & MOs

Info

ID:	3449
PubChem CID:	9669
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	3.88
IP(EA), eV:	-8.44(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O

DOS

IR

Vibrations