Geometry & MOs

Info

ID:	52579
PubChem CID:	12015504
Reduced:	NOC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	313.240565
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	1.58
IP(EA), eV:	-8.3(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-5-methyl-2-[2-[(1R,8S)-1-methyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]propan-2-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@H]3[C@@H]([C@H]2C4=CC=CC=C34)C

DOS

IR

Vibrations