Geometry & MOs

Info

ID:	7300
PubChem CID:	72083
Reduced:	NO2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	316.227654
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751716
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations