Geometry & MOs

Info

ID:	324324
PubChem CID:	126677434
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-243.15
Dipole, Da:	3.27
IP(EA), eV:	-8.85(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-10-methyl-10-azatricyclo[4.3.1.02,5]dec-1(9)-en-8-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](N(CC[C@H]1C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations