Geometry & MOs

Info

ID:	133549
PubChem CID:	51546456
Reduced:	O2N5C22H35 (1)
Stoich.:	A2B5C22D35 (1)
Weight, g/mol:	485.291651
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	5.08
IP(EA), eV:	-8.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2CCCCC2N3C1=NN=C3CN4CCC[C@@H]4C5CCC(CC5)OC

DOS

IR

Vibrations