Geometry & MOs

Info

ID:	59715
PubChem CID:	24894693
Reduced:	NO3C26H38 (1)
Stoich.:	AB3C26D38 (1)
Weight, g/mol:	555.23481
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.907549
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-methyl-2-(3-phenylpropyl)-2-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate;bromide

Drug info:

PubChemData

Smile

CC(=C)C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

DOS

IR

Vibrations