Geometry & MOs

Info

ID:	83922
PubChem CID:	49862567
Reduced:	ClNO3C20H30 (1)
Stoich.:	ABC3D20E30 (1)
Weight, g/mol:	318.206919
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	10.47
IP(EA), eV:	-8.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-1-[4-(3,4,5-trimethoxyphenyl)but-3-ynyl]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CC[N+]1(CCCCC1)CCC#CC2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

DOS

IR

Vibrations