Geometry & MOs

Info

ID:	174833
PubChem CID:	75820310
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	331.238553
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	6.99
IP(EA), eV:	-8.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C)NC(=O)NC2=C(C=CC(=C2)NC(=O)C)C

DOS

IR

Vibrations