Geometry & MOs

Info

ID:	7299
PubChem CID:	72082
Reduced:	BrNO2C20H30 (1)
Stoich.:	ABC2D20E30 (1)
Weight, g/mol:	395.14599
ΔH_f, kcal/mol:	-99.48
Dipole, Da:	13.72
IP(EA), eV:	-7.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations