Geometry & MOs

Info

ID:	238880
PubChem CID:	93165660
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	315.267448
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	2.91
IP(EA), eV:	-8.99(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-2-amino-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)[C@@H](C2=CC=CC=C2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations