Geometry & MOs

Info

ID:	4594
PubChem CID:	11693
Reduced:	BrNO3C19H28 (1)
Stoich.:	ABC3D19E28 (1)
Weight, g/mol:	397.12526
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	13.44
IP(EA), eV:	-7.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide

Drug info:

PubChemData

Smile

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

DOS

IR

Vibrations