Geometry & MOs

Info

ID:	2293
PubChem CID:	6647
Reduced:	BrNO2C17H32 (1)
Stoich.:	ABC2D17E32 (1)
Weight, g/mol:	361.16164
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	15.67
IP(EA), eV:	-7.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C.[Br-]

DOS

IR

Vibrations