Geometry & MOs

Info

ID:	894
PubChem CID:	3494
Reduced:	NO3C19H28 (1)
Stoich.:	AB3C19D28 (1)
Weight, g/mol:	318.206919
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751194
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations