Geometry & MOs

Info

ID:	219574
PubChem CID:	85149264
Reduced:	N4O5C34H34 (1)
Stoich.:	A4B5C34D34 (1)
Weight, g/mol:	468.166711
ΔH_f, kcal/mol:	-53.0
Dipole, Da:	7.52
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-methyl-1-(3-phenylprop-2-enyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate

Drug info:

PubChemData

Smile

CC(=NOCC(=O)O)C1=CC=C(C=C1)C2=CC(=CC=C2)OCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CN=CC=C5

DOS

IR

Vibrations