Geometry & MOs

Info

ID:	60432
PubChem CID:	26686021
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	426.275667
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	3.58
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2CCCCC2)CC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations