Geometry & MOs

Info

ID:	59052
PubChem CID:	24770591
Reduced:	BrO4N5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	307.193614
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	8.54
IP(EA), eV:	-8.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-8-methyl-3-phenyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=CC(=C4)/C(=C/C(=O)C(=O)C)/O)Br

DOS

IR

Vibrations